Molecule

ID:16633

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄ClNO₂
Molecular Mass
263.71946
Exact Mass
263.07130637
Charge
0
InChI
InChI=1S/C14H14ClNO2/c1-10-3-4-11(2)16(10)12-5-7-13(8-6-12)18-14(17)9-15/h3-8H,9H2,1-2H3
InChIKey
NICFQWOOHHRUNR-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Oc1ccc(cc1)n1c(C)ccc1C
Isomeric Smiles
n1(c2ccc(cc2)OC(=O)CCl)c(ccc1C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6808
LogD (pH = 7.4)
2.6808
Log P
2.6808
Molar Refractivity
81.9954
Polarizability
28.076374
Polar Surface Area
31.23
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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