Molecule

ID:31333

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉Cl₂FN₂
Molecular Mass
281.1970632
Exact Mass
280.0909322
Charge
0
InChI
InChI=1S/C12H17FN2.2ClH/c13-10-5-6-12(11(14)9-10)15-7-3-1-2-4-8-15;;/h5-6,9H,1-4,7-8,14H2;2*1H
InChIKey
STQFBROVJSAXTD-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)N)N1CCCCCC1.Cl.Cl
Isomeric Smiles
c1(N2CCCCCC2)c(cc(cc1)F)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.573059
LogD (pH = 7.4)
2.6883137
Log P
2.6900005
Molar Refractivity
62.1464
Polarizability
22.580189
Polar Surface Area
29.26
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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