SMILES:
COc1cc2c(cc1C)CCNC2C1(c2ccccc2Cl)CCC1Molecular Processing
Molecular formula
C21H24ClNO
Molecular weight
341.88
Exact mass
341.1546
XLogP
4.97
TPSA
21.26
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
24
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
99.16
Supplementary Information
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