Molecule

ID:46018

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO
Molecular Mass
177.2429
Exact Mass
177.11536411
Charge
0
InChI
InChI=1S/C11H15NO/c1-8-4-3-5-11(9(8)2)13-10-6-12-7-10/h3-5,10,12H,6-7H2,1-2H3
InChIKey
KACHZCLSILCLRU-UHFFFAOYSA-N
Canonic Smiles
Cc1c(OC2CNC2)cccc1C
Isomeric Smiles
c1(c(c(ccc1)C)C)OC1CNC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.49533468
LogD (pH = 7.4)
1.1483402
Log P
2.366256
Molar Refractivity
53.0292
Polarizability
20.867226
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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