SMILES:
CC(C)C(=O)NCCCn1c(CCl)nc2c(N)nc3cccnc3c21Molecular Processing
Molecular formula
C17H21ClN6O
Molecular weight
360.85
Exact mass
360.1465
XLogP
2.46
TPSA
98.72
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
99.26
Supplementary Information
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