이름: compound 2D
SMILES:
Cl.N#Cc1ccc(N)c2c1CCCC2Molecular Processing
Molecular formula
C11H13ClN2
Molecular weight
208.69
Exact mass
208.0767
XLogP
2.44
TPSA
49.81
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
2
Fraction Csp3
0.364
Molar refractivity
59.46
Supplementary Information
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