SMILES:
CN=C(NC#N)C1=CC2(CCCCC2)Oc2ccc([N+](=O)[O-])cc21Molecular Processing
Molecular formula
C17H18N4O3
Molecular weight
326.36
Exact mass
326.1379
XLogP
3.17
TPSA
100.55
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
24
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
89.63
Supplementary Information
Récupération des détails…
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