2-(2-Hydroxy-Phenyl)-1h-Indole-5-Carboxamidine

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as 2-phenylindoles. These are indoles substituted at the 2-position with a phenyl group.

2-phenylindoles

Organic compounds

Organoheterocyclic compounds

Indoles and derivatives

Indoles

Calculated Property

kind Value Source
logP 0.79 ALOGPS
logS -4.1 ALOGPS
Water Solubility 2.25e-02 g/l ALOGPS
logP 1.77 ChemAxon
IUPAC Name {amino[2-(2-hydroxyphenyl)-1H-indol-5-yl]methylidene}azanium ChemAxon
Traditional IUPAC Name {amino[2-(2-hydroxyphenyl)-1H-indol-5-yl]methylidene}azanium ChemAxon
Molecular Weight 252.2912 ChemAxon
Monoisotopic Weight 252.113687085 ChemAxon
SMILES NC(=[NH2+])C1=CC2=C(NC(=C2)C2=CC=CC=C2O)C=C1 ChemAxon
Molecular Formula C15H14N3O ChemAxon
InChI InChI=1S/C15H13N3O/c16-15(17)9-5-6-12-10(7-9)8-13(18-12)11-3-1-2-4-14(11)19/h1-8,18-19H,(H3,16,17)/p+1 ChemAxon
InChIKey InChIKey=JPGNPKIYCTXJPG-UHFFFAOYSA-O ChemAxon
Polar Surface Area (PSA) 87.63 ChemAxon
Refractivity 86.61 ChemAxon
Polarizability 28.04 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 4 ChemAxon
pKa (strongest acidic) 9.64 ChemAxon
pKa (strongest basic) 11.23 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 3 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Trypsin-1 : in Human