Molecule

ID:20815

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉Cl₂NO
Molecular Mass
288.21276
Exact Mass
287.08436959
Charge
0
InChI
InChI=1S/C14H19Cl2NO/c1-9-7-12(14(16)10(2)13(9)15)18-8-11-3-5-17-6-4-11/h7,11,17H,3-6,8H2,1-2H3
InChIKey
FBEZIVHWKOUQAP-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(OCC2CCNCC2)c(c(c1Cl)C)Cl
Isomeric Smiles
c1(c(c(cc(c1Cl)C)OCC1CCNCC1)Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.92344475
LogD (pH = 7.4)
1.3842156
Log P
4.1548657
Molar Refractivity
77.1876
Polarizability
30.13096
Polar Surface Area
21.26
Rotatable Bonds
3
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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