Molecule

ID:30711

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇NO₂
Molecular Mass
195.25818
Exact Mass
195.12592879
Charge
0
InChI
InChI=1S/C11H17NO2/c1-12-7-11(13)9-14-8-10-5-3-2-4-6-10/h2-6,11-13H,7-9H2,1H3
InChIKey
ADTOEVGVYLTCTB-UHFFFAOYSA-N
Canonic Smiles
CNCC(COCc1ccccc1)O
Isomeric Smiles
O(CC(O)CNC)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
14.107291
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.342267
LogD (pH = 7.4)
-1.399884
Log P
0.85428417
Molar Refractivity
56.312
Polarizability
22.369501
Polar Surface Area
41.49
Rotatable Bonds
6
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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