COc1cc(Br)cc2c1C(N(C)C1CC1)CCC2(C)C
Name: 2-bromo-5-(cyclopropyl-methyl-amino)-8,8-dimethyl-4-methoxy-5,6,7,8-tetrahydro-naphthalene
SMILES: COc1cc(Br)cc2c1C(N(C)C1CC1)CCC2(C)C

Molecular Processing

Molecular formula
C17H24BrNO
Molecular weight
338.29
Exact mass
337.1041
XLogP
4.66
TPSA
12.47
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.647
Molar refractivity
86.48

Supplementary Information

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