Nombre: N-[5-chloro-2-(1H-1,2,4-triazol-1-yl)benzyl]-L-prolinamide
SMILES:
O=C(NCc1cc(Cl)ccc1-n1cncn1)[C@@H]1CCCN1Molecular Processing
Molecular formula
C14H16ClN5O
Molecular weight
305.77
Exact mass
305.1043
XLogP
1.29
TPSA
71.84
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
79.24
Supplementary Information
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