이름: 1-chloro-7-methoxy-4-(thiophen-2-yl)phthalazine
SMILES:
COc1ccc2c(-c3cccs3)nnc(Cl)c2c1Molecular Processing
Molecular formula
C13H9ClN2OS
Molecular weight
276.75
Exact mass
276.0124
XLogP
4.02
TPSA
35.01
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
74.41
Supplementary Information
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