Name: N-[4-(1H-imidazol-1-ylmethyl)-2-nitrophenyl]-3-pyridinemethanamine
SMILES:
O=[N+]([O-])c1cc(Cn2ccnc2)ccc1NCc1cccnc1Molecular Processing
Molecular formula
C16H15N5O2
Molecular weight
309.33
Exact mass
309.1226
XLogP
2.85
TPSA
85.88
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
85.99
Supplementary Information
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