Molecule

ID:55134

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉Cl₂FN₂
Molecular Mass
281.1970632
Exact Mass
280.0909322
Charge
0
InChI
InChI=1S/C12H17FN2.2ClH/c13-11-5-3-10(4-6-11)8-15-7-1-2-12(14)9-15;;/h3-6,12H,1-2,7-9,14H2;2*1H
InChIKey
RQJDZIIJCVBLBI-UHFFFAOYSA-N
Canonic Smiles
NC1CCCN(C1)Cc1ccc(cc1)F.Cl.Cl
Isomeric Smiles
N1(Cc2ccc(F)cc2)CC(N)CCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0102773
LogD (pH = 7.4)
-0.4796471
Log P
1.7259252
Molar Refractivity
59.9781
Polarizability
23.346273
Polar Surface Area
29.26
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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