Molecule

ID:10971

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅Cl₂NO₂
Molecular Mass
264.1483
Exact Mass
263.04798409
Charge
0
InChI
InChI=1S/C11H14ClNO2.ClH/c1-7-10-9(8(4-12)5-13-7)6-14-11(2,3)15-10;/h5H,4,6H2,1-3H3;1H
InChIKey
MBHPZUUGVMVQMH-UHFFFAOYSA-N
Canonic Smiles
ClCc1cnc(c2c1COC(O2)(C)C)C.Cl
Isomeric Smiles
c12c(COC(O1)(C)C)c(cnc2C)CCl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.4585186
LogD (pH = 7.4)
1.6061801
Log P
1.6084627
Molar Refractivity
59.0944
Polarizability
22.884398
Polar Surface Area
31.35
Rotatable Bonds
1
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
No Data Available
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Molecule Details
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References
Bioactivity
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