Name: 3-hydroxypropyl-3-(4-nitrophenyl)propylamine
SMILES:
O=[N+]([O-])c1ccc(CCCNCCCO)cc1Molecular Processing
Molecular formula
C12H18N2O3
Molecular weight
238.29
Exact mass
238.1317
XLogP
1.5
TPSA
75.4
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
65.99
Supplementary Information
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