6-(benzyloxy)-1H-indole-3-carboxylic acid

6-(benzyloxy)-1H-indole-3-carboxylic acid

CAS: 24370-74-9

Formula: C16H13NO3

SMILES: OC(=O)C1=CNC2=CC(OCC3=CC=CC=C3)=CC=C12

IUPAC: 6-(benzyloxy)-1H-indole-3-carboxylic acid

InChI: InChI=1S/C16H13NO3/c18-16(19)14-9-17-15-8-12(6-7-13(14)15)20-10-11-4-2-1-3-5-11/h1-9,17H,10H2,(H,18,19)

Composition: C (71.90%), H (4.90%), N (5.24%), O (17.96%)

Molar Mass: 267.284

Atom Count: 33

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	267.089543283
Formal Charge	0
FSP3	0.06
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	BZTJFYMDTZJVNP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.48
Topological Polar Surface Area	62.32
Polarizability	29.98
Ring Count	3
Rotatable Bond Count	4

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