SMILES:
CC#CCOc1cc(Cl)ncn1Molecular Processing
Molecular formula
C8H7ClN2O
Molecular weight
182.61
Exact mass
182.0247
XLogP
1.53
TPSA
35.01
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
45.99
Supplementary Information
No supplementary data available
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