2-[5-(benzyloxy)-1H-indol-3-yl]acetonitrile

2-[5-(benzyloxy)-1H-indol-3-yl]acetonitrile

CAS: 2436-15-9

Formula: C17H14N2O

SMILES: N#CCC1=CNC2=CC=C(OCC3=CC=CC=C3)C=C12

IUPAC: 2-[5-(benzyloxy)-1H-indol-3-yl]acetonitrile

InChI: InChI=1S/C17H14N2O/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,19H,8,12H2

Composition: C (77.84%), H (5.38%), N (10.68%), O (6.10%)

Molar Mass: 262.312

Atom Count: 34

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	262.110613079
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ADPRFNVFBYHCJQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.51
Topological Polar Surface Area	48.81
Polarizability	31.22
Ring Count	3
Rotatable Bond Count	4

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