SMILES:
O=[N+]([O-])c1cc2c(c3c([N+](=O)[O-])cccc13)C(CCl)CN2Molecular Processing
Molecular formula
C13H10ClN3O4
Molecular weight
307.69
Exact mass
307.036
XLogP
3.4
TPSA
98.31
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
79.21
Supplementary Information
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