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(5R)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

(5R)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

CAS: 1567915-72-3

Formula: C10H13NO

SMILES: N[C@@H]1CCCOC2=CC=CC=C12

IUPAC: (5R)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

InChI: InChI=1S/C10H13NO/c11-9-5-3-7-12-10-6-2-1-4-8(9)10/h1-2,4,6,9H,3,5,7,11H2/t9-/m1/s1

Composition: C (73.59%), H (8.03%), N (8.58%), O (9.80%)

Molar Mass: 163.22

Atom Count: 25

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 163.099714043
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey QJQARXIEBJBMRM-SECBINFHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.21
Topological Polar Surface Area 35.25
Polarizability 19.17
Ring Count 2
Rotatable Bond Count 0

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