Name: 1
SMILES:
COc1ccc(CN2Cc3c(Cl)ccnc3NC2=O)cc1Molecular Processing
Molecular formula
C15H14ClN3O2
Molecular weight
303.75
Exact mass
303.0775
XLogP
3.29
TPSA
54.46
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
80.51
Supplementary Information
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