Name: 4-[(4-cyclohex-1-enylphenylamino)methyl]benzoic acid methyl ester
SMILES:
COC(=O)c1ccc(CNc2ccc(C3=CCCCC3)cc2)cc1Molecular Processing
Molecular formula
C21H23NO2
Molecular weight
321.42
Exact mass
321.1729
XLogP
5.04
TPSA
38.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
98
Supplementary Information
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