이름: title compound
SMILES:
CC(C)NC(=O)Cn1c2c(c3cc(Cl)ccc31)CCN(C)CC2Molecular Processing
Molecular formula
C18H24ClN3O
Molecular weight
333.86
Exact mass
333.1608
XLogP
2.85
TPSA
37.27
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
95.13
Supplementary Information
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