Name: N-(2-nitro-phenyl)-N′-pyridin-3-ylmethyl-pyrimidine-4,6-diamine
SMILES:
O=[N+]([O-])c1ccccc1Nc1cc(NCc2cccnc2)ncn1Molecular Processing
Molecular formula
C16H14N6O2
Molecular weight
322.33
Exact mass
322.1178
XLogP
3.14
TPSA
105.87
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.062
Molar refractivity
89.97
Supplementary Information
Details werden geladen…
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