Molecule

ID:47086

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉Cl₂NO
Molecular Mass
276.20206
Exact Mass
275.08436959
Charge
0
InChI
InChI=1S/C13H18ClNO.ClH/c1-2-10-8-11(5-6-13(10)14)16-12-4-3-7-15-9-12;/h5-6,8,12,15H,2-4,7,9H2,1H3;1H
InChIKey
LCWOYUUAYMSEAU-UHFFFAOYSA-N
Canonic Smiles
CCc1cc(ccc1Cl)OC1CCCNC1.Cl
Isomeric Smiles
c1(c(ccc(c1)OC1CNCCC1)Cl)CC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.3113125
LogD (pH = 7.4)
1.4341459
Log P
3.4787705
Molar Refractivity
66.9038
Polarizability
26.46922
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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