Molecule

ID:16172

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈ClNO
Molecular Mass
215.71972
Exact Mass
215.10769188
Charge
0
InChI
InChI=1S/C11H17NO.ClH/c1-9(2)6-7-13-11-5-3-4-10(12)8-11;/h3-5,8-9H,6-7,12H2,1-2H3;1H
InChIKey
LIEFPEDBNOUENI-UHFFFAOYSA-N
Canonic Smiles
CC(CCOc1cccc(c1)N)C.Cl
Isomeric Smiles
c1c(N)cccc1OCCC(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5811856
LogD (pH = 7.4)
2.5973566
Log P
2.5975666
Molar Refractivity
55.6438
Polarizability
21.365467
Polar Surface Area
35.25
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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