Molecule

ID:15712

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉ClFNO₃
Molecular Mass
303.7569632
Exact Mass
303.10374937
Charge
0
InChI
InChI=1S/C14H18FNO3.ClH/c1-19-13-8-10(2-3-12(13)15)9-16-6-4-11(5-7-16)14(17)18;/h2-3,8,11H,4-7,9H2,1H3,(H,17,18);1H
InChIKey
CCIZYHIQAQHCDE-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1F)CN1CCC(CC1)C(=O)O.Cl
Isomeric Smiles
C1C(CCN(C1)Cc1ccc(c(c1)OC)F)C(=O)O.Cl
Calculated Properties
JChem
Acid pKa
3.422694
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.7556871
LogD (pH = 7.4)
-0.80541676
Log P
-0.7552095
Molar Refractivity
69.6622
Polarizability
26.748999
Polar Surface Area
49.77
Rotatable Bonds
4
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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