2-ethyl-3-methyl-1H-indole-5-carboxylic acid

2-ethyl-3-methyl-1H-indole-5-carboxylic acid

CAS: 876715-50-3

Formula: C12H13NO2

SMILES: CCC1=C(C)C2=CC(=CC=C2N1)C(O)=O

IUPAC: 2-ethyl-3-methyl-1H-indole-5-carboxylic acid

InChI: InChI=1S/C12H13NO2/c1-3-10-7(2)9-6-8(12(14)15)4-5-11(9)13-10/h4-6,13H,3H2,1-2H3,(H,14,15)

Composition: C (70.92%), H (6.45%), N (6.89%), O (15.74%)

Molar Mass: 203.241

Atom Count: 28

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	203.094628663
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	YNVGEQHHRAECKB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.12
Topological Polar Surface Area	53.09
Polarizability	23.23
Ring Count	2
Rotatable Bond Count	2

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