COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(Cl)c2c1
SMILES: COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(Cl)c2c1

Molecular Processing

Molecular formula
C15H10Cl3N3O
Molecular weight
354.62
Exact mass
352.9889
XLogP
4.58
TPSA
47.9
H-bond donors
0
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
88.16

Supplementary Information

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