이름: 1-[[(3-nitroquinolin-4-yl)amino]methyl]cyclohexan-1-ol
SMILES:
O=[N+]([O-])c1cnc2ccccc2c1NCC1(O)CCCCC1Molecular Processing
Molecular formula
C16H19N3O3
Molecular weight
301.35
Exact mass
301.1426
XLogP
3.25
TPSA
88.29
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
84.92
Supplementary Information
InChIKey: XDXRYOOTWLBTPN-UHFFFAOYSA-N
동의어
SCHEMBL1141072XDXRYOOTWLBTPN-UHFFFAOYSA-N1-[(3-nitroquinolin-4-ylamino)methyl]cyclohexanol1-{[(3-nitroquinolin-4-yl)amino]methyl}cyclohexanol
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