2-phenyl-1,4-diazepane

2-phenyl-1,4-diazepane

CAS: 105627-85-8

Formula: C11H16N2

SMILES: C1CNCC(NC1)C1=CC=CC=C1

IUPAC: 2-phenyl-1,4-diazepane

InChI: InChI=1/C11H16N2/c1-2-5-10(6-3-1)11-9-12-7-4-8-13-11/h1-3,5-6,11-13H,4,7-9H2

Composition: C (74.96%), H (9.15%), N (15.89%)

Molar Mass: 176.263

Atom Count: 29

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	176.131348523
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	PQOLMVXRIQLMNF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.6
Topological Polar Surface Area	24.06
Polarizability	21.91
Ring Count	2
Rotatable Bond Count	1

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