SMILES:
CN(C(=O)CCC#Cc1ccccn1)c1cccc(Cl)c1Molecular Processing
Molecular formula
C17H15ClN2O
Molecular weight
298.77
Exact mass
298.0873
XLogP
3.53
TPSA
33.2
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
85.21
Supplementary Information
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