CC(C)(C)OC(=O)NC1CCCN(c2ccnc(Cl)n2)C1
SMILES: CC(C)(C)OC(=O)NC1CCCN(c2ccnc(Cl)n2)C1

Molecular Processing

Molecular formula
C14H21ClN4O2
Molecular weight
312.8
Exact mass
312.1353
XLogP
2.62
TPSA
67.35
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.643
Molar refractivity
81.65

Supplementary Information

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