Molecule

ID:21043

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO
Molecular Mass
177.2429
Exact Mass
177.11536411
Charge
0
InChI
InChI=1S/C11H15NO/c1-9-4-2-3-5-11(9)13-10-6-7-12-8-10/h2-5,10,12H,6-8H2,1H3
InChIKey
MIVMFYNEGPHLSB-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1OC1CNCC1
Isomeric Smiles
c1(OC2CCNC2)c(C)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3180027
LogD (pH = 7.4)
-0.84106284
Log P
1.9127944
Molar Refractivity
52.8534
Polarizability
20.946663
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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