이름: 1-(4-chlorophenyl)-5-phenyl-4,5-dihydro-(1H)-pyrazole-3-carboxamidine
SMILES:
N=C(N)C1=NN(c2ccc(Cl)cc2)C(c2ccccc2)C1Molecular Processing
Molecular formula
C16H15ClN4
Molecular weight
298.78
Exact mass
298.0985
XLogP
3.58
TPSA
65.47
H-bond donors
2
H-bond acceptors
3
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
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
87.08
Supplementary Information
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