Molecule

ID:50276

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈ClNO₂
Molecular Mass
255.74052
Exact Mass
255.1026065
Charge
0
InChI
InChI=1S/C13H17NO2.ClH/c1-16-13(15)12-7-3-2-6-11(12)10-5-4-8-14-9-10;/h2-3,6-7,10,14H,4-5,8-9H2,1H3;1H
InChIKey
LGZJROHTLVAUHF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccc1C1CCCNC1.Cl
Isomeric Smiles
c1ccc(c(c1)C(=O)OC)C1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0503765
LogD (pH = 7.4)
-0.23506625
Log P
2.1597414
Molar Refractivity
63.4273
Polarizability
24.673037
Polar Surface Area
38.33
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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