3-(carboxymethyl)-5-chloro-1H-indole-2-carboxylic acid

3-(carboxymethyl)-5-chloro-1H-indole-2-carboxylic acid

CAS: 120716-95-2

Formula: C11H8ClNO4

SMILES: OC(=O)CC1=C(NC2=CC=C(Cl)C=C12)C(O)=O

IUPAC: 3-(carboxymethyl)-5-chloro-1H-indole-2-carboxylic acid

InChI: InChI=1S/C11H8ClNO4/c12-5-1-2-8-6(3-5)7(4-9(14)15)10(13-8)11(16)17/h1-3,13H,4H2,(H,14,15)(H,16,17)

Composition: C (52.09%), H (3.18%), Cl (13.98%), N (5.52%), O (25.23%)

Molar Mass: 253.64

Atom Count: 25

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	253.0141854
Formal Charge	0
FSP3	0.09
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	LRXDFQDRJSDXHF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.39
Topological Polar Surface Area	90.39
Polarizability	24
Ring Count	2
Rotatable Bond Count	3

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