Molecule

ID:31543

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO
Molecular Mass
177.2429
Exact Mass
177.11536411
Charge
0
InChI
InChI=1S/C11H15NO/c1-8-5-10-6-9(7-12-2)3-4-11(10)13-8/h3-4,6,8,12H,5,7H2,1-2H3
InChIKey
KGEYDOVJPCDMIN-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccc2c(c1)CC(O2)C
Isomeric Smiles
O1c2c(CC1C)cc(cc2)CNC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3557526
LogD (pH = 7.4)
-0.33825853
Log P
1.8303869
Molar Refractivity
53.4976
Polarizability
20.939
Polar Surface Area
21.26
Rotatable Bonds
2
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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