Molecule

ID:100703

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂ClFN₂
Molecular Mass
190.6456832
Exact Mass
190.06730429
Charge
0
InChI
InChI=1S/C8H11FN2.ClH/c1-6-2-3-7(5-11-10)4-8(6)9;/h2-4,11H,5,10H2,1H3;1H
InChIKey
ZKDXYOYYSFFVCP-UHFFFAOYSA-N
Canonic Smiles
NNCc1ccc(c(c1)F)C.Cl
Isomeric Smiles
N(Cc1cc(c(cc1)C)F)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.380942
LogD (pH = 7.4)
1.5674996
Log P
1.5704821
Molar Refractivity
54.7659
Polarizability
16.43577
Polar Surface Area
38.05
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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