Molecule

ID:118624

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅ClO₂
Molecular Mass
250.7207
Exact Mass
250.0760574
Charge
0
InChI
InChI=1S/C14H15ClO2/c1-14(2,3)10-4-5-12-11(7-10)9(8-15)6-13(16)17-12/h4-7H,8H2,1-3H3
InChIKey
LDRHULNLHRCWAE-UHFFFAOYSA-N
Canonic Smiles
ClCc1cc(=O)oc2c1cc(cc2)C(C)(C)C
Isomeric Smiles
c12c(cc(=O)oc1ccc(c2)C(C)(C)C)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7016313
LogD (pH = 7.4)
3.7016313
Log P
3.7016313
Molar Refractivity
69.3222
Polarizability
26.641846
Polar Surface Area
26.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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