Molecule

ID:18312

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c1-8(12)9-3-4-10-11(7-9)14-6-2-5-13-10/h3-4,7-8H,2,5-6,12H2,1H3
InChIKey
ZKYATSWXTBXDHA-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc2c(c1)OCCCO2)N
Isomeric Smiles
c12cc(ccc1OCCCO2)C(N)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.9123966
LogD (pH = 7.4)
-1.0963787
Log P
1.0886816
Molar Refractivity
54.773
Polarizability
21.680534
Polar Surface Area
44.48
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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