SMILES:
NCC1Cc2ccc(C3=NNC(=O)CC3)cc2C1Molecular Processing
Molecular formula
C14H17N3O
Molecular weight
243.31
Exact mass
243.1372
XLogP
0.97
TPSA
67.48
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
70.31
Supplementary Information
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