C1=CC(=CC=C1C=CCCCCCCCC(=O)O)Cl
Name: 10-(4-chlorophenyl)dec-9-enoic acid
SMILES: C1=CC(=CC=C1C=CCCCCCCCC(=O)O)Cl

Molecular Processing

Molecular formula
C16H21ClO2
Molecular weight
280.79
Exact mass
280.123
XLogP
5.17
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
9
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
80.44

Supplementary Information

InChIKey: VRRXBXFXHDZLBK-UHFFFAOYSA-N
Synonyme
SCHEMBL9464294VRRXBXFXHDZLBK-UHFFFAOYSA-N10-(4-chlorophenyl)dec-9-enoic acid
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