SMILES:
CC(C)(C)OC(=O)NCC#CCn1ccc2ncnc(Cl)c21Molecular Processing
Molecular formula
C15H17ClN4O2
Molecular weight
320.78
Exact mass
320.104
XLogP
2.61
TPSA
69.04
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
84.55
Supplementary Information
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