CN(CCCc1nc2c(Cl)cccc2[nH]1)CCC1(O)CC2CCC1C=C2c1ccccc1
SMILES: CN(CCCc1nc2c(Cl)cccc2[nH]1)CCC1(O)CC2CCC1C=C2c1ccccc1

Molecular Processing

Molecular formula
C27H32ClN3O
Molecular weight
450.03
Exact mass
449.2234
XLogP
5.72
TPSA
52.15
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
32
Rings
6
Aromatic rings
3
Saturated rings
1
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
131.74

Supplementary Information

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