SMILES:
COc1cc2c(cc1C)CCNC2C1(c2ccccc2Cl)CC1Molecular Processing
Molecular formula
C20H22ClNO
Molecular weight
327.86
Exact mass
327.139
XLogP
4.58
TPSA
21.26
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
23
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
0.4
Molar refractivity
94.54
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→