Molecule

ID:61677

General Information
Structure
Molecular Formula
C₁₃H₁₄ClFN₂O₂
Molecular Mass
284.7138632
Exact Mass
284.0727836
Charge
0
InChI
InChI=1S/C13H14ClFN2O2/c14-9-1-2-11(10(15)7-9)17-8-13(19-12(17)18)3-5-16-6-4-13/h1-2,7,16H,3-6,8H2
InChIKey
RIXHSADSVPAZOJ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)F)N1CC2(OC1=O)CCNCC2
Isomeric Smiles
N1(C(=O)OC2(C1)CCNCC2)c1c(cc(cc1)Cl)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3818889
LogD (pH = 7.4)
-0.6787926
Log P
1.837062
Molar Refractivity
68.7587
Polarizability
26.811462
Polar Surface Area
41.57
Rotatable Bonds
1
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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