Name: 5-chloroanthra[1,9cd]pyrazol-6(2H)-one
SMILES:
O=C1c2ccccc2-c2n[nH]c3ccc(Cl)c1c23Molecular Processing
Molecular formula
C14H7ClN2O
Molecular weight
254.68
Exact mass
254.0247
XLogP
3.43
TPSA
45.75
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
18
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
69.97
Supplementary Information
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