Molecule

ID:31782

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClFN₂
Molecular Mass
228.6936632
Exact Mass
228.08295436
Charge
0
InChI
InChI=1S/C11H13FN2.ClH/c1-14-7-8(4-5-13)10-6-9(12)2-3-11(10)14;/h2-3,6-7H,4-5,13H2,1H3;1H
InChIKey
XCJBCKNHHUKCSW-UHFFFAOYSA-N
Canonic Smiles
NCCc1cn(c2c1cc(F)cc2)C.Cl
Isomeric Smiles
n1(c2c(c(c1)CCN)cc(cc2)F)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.1541926
LogD (pH = 7.4)
-0.4094672
Log P
1.8528155
Molar Refractivity
55.486
Polarizability
22.079035
Polar Surface Area
30.95
Rotatable Bonds
2
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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