Name: methyl 8-chloro-4[m-(3-pyridyl)phenyl]oct-2-enoate
SMILES:
COC(=O)C=CC(CCCCCl)c1cccc(-c2cccnc2)c1Molecular Processing
Molecular formula
C20H22ClNO2
Molecular weight
343.85
Exact mass
343.1339
XLogP
4.97
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
98.14
Supplementary Information
Details werden geladen…
An 3 Reaktionen beteiligt→