Molecule

ID:100318

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁ClFN
Molecular Mass
187.6417432
Exact Mass
187.05640526
Charge
0
InChI
InChI=1S/C9H11ClFN/c1-2-12-6-7-8(10)4-3-5-9(7)11/h3-5,12H,2,6H2,1H3
InChIKey
UYMQEQZDCJUWPU-UHFFFAOYSA-N
Canonic Smiles
CCNCc1c(F)cccc1Cl
Isomeric Smiles
N(Cc1c(cccc1F)Cl)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.038990438
LogD (pH = 7.4)
1.6766208
Log P
2.6351492
Molar Refractivity
49.0758
Polarizability
18.915535
Polar Surface Area
12.03
Rotatable Bonds
3
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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