2-(4-methoxyphenyl)azepane

2-(4-methoxyphenyl)azepane

CAS: 168890-46-8

Formula: C13H19NO

SMILES: COC1=CC=C(C=C1)C1CCCCCN1

IUPAC: 2-(4-methoxyphenyl)azepane

InChI: InChI=1/C13H19NO/c1-15-12-8-6-11(7-9-12)13-5-3-2-4-10-14-13/h6-9,13-14H,2-5,10H2,1H3

Composition: C (76.06%), H (9.33%), N (6.82%), O (7.79%)

Molar Mass: 205.301

Atom Count: 34

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	205.146664236
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	WWJBDSBGLBEFSH-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.18
Topological Polar Surface Area	21.26
Polarizability	24.71
Ring Count	2
Rotatable Bond Count	2

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