名称: 4-(3,5-dichloro-pyridin-4-ylmethyl)-7-methoxy-2H-phthalazin-1-one
SMILES:
COc1ccc2c(Cc3c(Cl)cncc3Cl)n[nH]c(=O)c2c1Molecular Processing
Molecular formula
C15H11Cl2N3O2
Molecular weight
336.18
Exact mass
335.0228
XLogP
3.22
TPSA
67.87
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
85.98
Supplementary Information
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