Molecule

ID:131786

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClFN₂
Molecular Mass
228.6936632
Exact Mass
228.08295436
Charge
0
InChI
InChI=1S/C11H13FN2.ClH/c1-7(13)4-8-6-14-11-3-2-9(12)5-10(8)11;/h2-3,5-7,14H,4,13H2,1H3;1H
InChIKey
RVHBLKWBRZWGLS-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1c[nH]c2c1cc(F)cc2)N.Cl
Isomeric Smiles
CC(Cc1c[nH]c2c1cc(cc2)F)N.Cl
Calculated Properties
JChem
Acid pKa
17.182161
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-0.9717672
LogD (pH = 7.4)
-0.39587954
Log P
2.0457144
Molar Refractivity
55.0081
Polarizability
22.161747
Polar Surface Area
41.81
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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