COc1cccc(C(C)NCCC(C)c2ccccc2Cl)c1
SMILES: COc1cccc(C(C)NCCC(C)c2ccccc2Cl)c1

Molecular Processing

Molecular formula
C19H24ClNO
Molecular weight
317.86
Exact mass
317.1546
XLogP
5.19
TPSA
21.26
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
93.9

Supplementary Information

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