SMILES:
Cc1ccc2c(N3CCC(N)C3)nc(Cl)nc2c1Molecular Processing
Molecular formula
C13H15ClN4
Molecular weight
262.74
Exact mass
262.0985
XLogP
2.13
TPSA
55.04
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
74.09
Supplementary Information
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