Name: phenylsemicarbazide
SMILES:
Cc1cccc(C)c1N(NC(N)=O)C(=O)CC#NMolecular Processing
Molecular formula
C12H14N4O2
Molecular weight
246.27
Exact mass
246.1117
XLogP
1.13
TPSA
99.22
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
66.35
Supplementary Information
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