Molecule

ID:46801

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClF₂NO
Molecular Mass
291.7645064
Exact Mass
291.12014839
Charge
0
InChI
InChI=1S/C14H19F2NO.ClH/c15-12-7-11(8-13(16)9-12)10-18-6-4-14-3-1-2-5-17-14;/h7-9,14,17H,1-6,10H2;1H
InChIKey
QRQWTCOFPNNHEX-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(COCCC2CCCCN2)cc(c1)F.Cl
Isomeric Smiles
N1C(CCOCc2cc(cc(c2)F)F)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.49144882
LogD (pH = 7.4)
-0.03449907
Log P
2.740116
Molar Refractivity
67.4599
Polarizability
25.887075
Polar Surface Area
21.26
Rotatable Bonds
5
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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