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azepan-4-one

azepan-4-one

CAS: 105416-56-6

Formula: C6H11NO

SMILES: O=C1CCCNCC1

IUPAC: azepan-4-one

InChI: InChI=1S/C6H11NO/c8-6-2-1-4-7-5-3-6/h7H,1-5H2

Composition: C (63.69%), H (9.80%), N (12.38%), O (14.14%)

Molar Mass: 113.16

Atom Count: 19

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 113.084063978
Formal Charge 0
FSP3 0.83
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey GMHPWGYTSXHHPI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 31.92
Topological Polar Surface Area 29.1
Polarizability 12.65
Ring Count 1
Rotatable Bond Count 0

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