SMILES:
COc1cc2c(cc1C)CCN(C)C2C1(c2ccccc2Cl)CCC1Molecular Processing
Molecular formula
C22H26ClNO
Molecular weight
355.91
Exact mass
355.1703
XLogP
5.31
TPSA
12.47
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
25
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
0.455
Molar refractivity
103.79
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→