2-(1H-indol-3-yl)-2-methylpropanoic acid

2-(1H-indol-3-yl)-2-methylpropanoic acid

CAS: 2770-92-5

Formula: C12H13NO2

SMILES: CC(C)(C(O)=O)C1=CNC2=CC=CC=C12

IUPAC: 2-(1H-indol-3-yl)-2-methylpropanoic acid

InChI: InChI=1S/C12H13NO2/c1-12(2,11(14)15)9-7-13-10-6-4-3-5-8(9)10/h3-7,13H,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	FCCAHDWYBGCCMD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.53
Topological Polar Surface Area	53.09
Polarizability	23.41
Ring Count	2
Rotatable Bond Count	2

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