EcoDrugPlus


Synonyms	Ao201 C.I.73000 Ci 73000 Indigo Indigo blue Indigo whole Indigofera orthocarpa whole Indigofera tinctoria Indigofera tinctoria whole Indigotin NSC-8645 Nila whole Nili whole Nilika whole Nilini whole
Status
Molecule Category	Free-form
UNII	1G5BK41P4F


InChI Key	COHYTHOBJLSHDF-BUHFOSPRSA-N
Smiles	O=C1/C(=C2\Nc3ccccc3C2=O)Nc2ccccc21
InChI	InChI=1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-18H/b14-13+

Property Name	Value
Molecular Formula	C16H10N2O2
Molecular Weight	262.27
AlogP	2.81
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Polar Surface Area	58.2
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	20.0

Resources	Reference
ChEMBL	CHEMBL599552
FDA SRS	1G5BK41P4F
SureChEMBL	SCHEMBL42280
ZINC	ZINC000100014196

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

INDIGO

Structure

Physicochemical Descriptors

Related Entries

Cross References