N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-1,3-benzodiazol-2-amine hydrochloride

N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-1,3-benzodiazol-2-amine hydrochloride

CAS: 875755-24-1

Formula: C17H18ClN3

SMILES: Cl[H].C1C[C@@H](NC2=NC3=CC=CC=C3N2)C2=C(C1)C=CC=C2

IUPAC: N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-1,3-benzodiazol-2-amine hydrochloride

InChI: InChI=1S/C17H17N3.ClH/c1-2-8-13-12(6-1)7-5-11-14(13)18-17-19-15-9-3-4-10-16(15)20-17;/h1-4,6,8-10,14H,5,7,11H2,(H2,18,19,20);1H/t14-;/m1./s1

Composition: C (68.11%), H (6.05%), Cl (11.82%), N (14.02%)

Molar Mass: 299.8

Atom Count: 39

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	299.1189253
Formal Charge	0
FSP3	0.24
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	VWEKCDTXUUPBNA-PFEQFJNWSA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.43
Topological Polar Surface Area	40.71
Polarizability	32
Ring Count	4
Rotatable Bond Count	2

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