이름: dihydrophthalazine
SMILES:
CSc1ccc2c(c1)C(c1ccc(NC(C)=O)cc1)=NNC2CMolecular Processing
Molecular formula
C18H19N3OS
Molecular weight
325.44
Exact mass
325.1249
XLogP
3.78
TPSA
53.49
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
23
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
0.222
Molar refractivity
96.16
Supplementary Information
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