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8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine

8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine

CAS: 17422-43-4

Formula: C11H15NO

SMILES: COC1=CC=C2CCCCNC2=C1

IUPAC: 8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine

InChI: InChI=1S/C11H15NO/c1-13-10-6-5-9-4-2-3-7-12-11(9)8-10/h5-6,8,12H,2-4,7H2,1H3

Composition: C (74.54%), H (8.53%), N (7.90%), O (9.03%)

Molar Mass: 177.247

Atom Count: 28

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 177.115364107
Formal Charge 0
FSP3 0.45
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey YOWUBTLYNPKOQO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.23
Topological Polar Surface Area 21.26
Polarizability 20.55
Ring Count 2
Rotatable Bond Count 1

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