이름: 3-Nitro-4-(2-methylpropylamino)quinoline
SMILES:
CC(C)CNc1c([N+](=O)[O-])cnc2ccccc12Molecular Processing
Molecular formula
C13H15N3O2
Molecular weight
245.28
Exact mass
245.1164
XLogP
3.21
TPSA
68.06
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
71.73
Supplementary Information
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