이름: D70
SMILES:
Clc1ccn2c(CC3CC3)nnc2c1IMolecular Processing
Molecular formula
C10H9ClIN3
Molecular weight
333.56
Exact mass
332.953
XLogP
2.94
TPSA
30.19
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
67.14
Supplementary Information
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