3-(2-aminoethyl)-1H-indole-6-carbonitrile hydrochloride

3-(2-aminoethyl)-1H-indole-6-carbonitrile hydrochloride

CAS: 2703752-80-9

Formula: C11H12ClN3

SMILES: Cl.NCCC1=CNC2=CC(=CC=C12)C#N

IUPAC: 3-(2-aminoethyl)-1H-indole-6-carbonitrile hydrochloride

InChI: InChI=1S/C11H11N3.ClH/c12-4-3-9-7-14-11-5-8(6-13)1-2-10(9)11;/h1-2,5,7,14H,3-4,12H2;1H

Composition: C (59.60%), H (5.46%), Cl (15.99%), N (18.96%)

Molar Mass: 221.69

Atom Count: 27

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	221.0719751
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	XXRXBUFIONSSHF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.09
Topological Polar Surface Area	65.6
Polarizability	22.55
Ring Count	2
Rotatable Bond Count	2

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