SMILES:
COc1ccnc(C(=O)c2[nH]c3cc(Cl)ccc3c2N)c1Molecular Processing
Molecular formula
C15H12ClN3O2
Molecular weight
301.73
Exact mass
301.0618
XLogP
3.04
TPSA
81
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.067
Molar refractivity
81.94
Supplementary Information
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