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3-(azepane-1-carbonyl)aniline

3-(azepane-1-carbonyl)aniline

CAS: 401646-91-1

Formula: C13H18N2O

SMILES: NC1=CC=CC(=C1)C(=O)N1CCCCCC1

IUPAC: 3-(azepane-1-carbonyl)aniline

InChI: InChI=1S/C13H18N2O/c14-12-7-5-6-11(10-12)13(16)15-8-3-1-2-4-9-15/h5-7,10H,1-4,8-9,14H2

Composition: C (71.53%), H (8.31%), N (12.83%), O (7.33%)

Molar Mass: 218.3

Atom Count: 34

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 218.141913208
Formal Charge 0
FSP3 0.46
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey HYPNOUVIFRUUJZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.37
Topological Polar Surface Area 46.33
Polarizability 24.62
Ring Count 2
Rotatable Bond Count 1

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