SMILES:
COc1cc(C(C)C)c(Oc2cnc(N)nc2Cl)cc1CMolecular Processing
Molecular formula
C15H18ClN3O2
Molecular weight
307.78
Exact mass
307.1088
XLogP
3.94
TPSA
70.26
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
83.35
Supplementary Information
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