Molecule

ID:76966

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO
Molecular Mass
177.2429
Exact Mass
177.11536411
Charge
0
InChI
InChI=1S/C11H15NO/c1-13-10-5-3-2-4-9(10)11(8-12)6-7-11/h2-5H,6-8,12H2,1H3
InChIKey
DSYOQJSRKVKSHF-UHFFFAOYSA-N
Canonic Smiles
NCC1(CC1)c1ccccc1OC
Isomeric Smiles
NCC1(c2ccccc2OC)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4691892
LogD (pH = 7.4)
-0.4611304
Log P
1.509252
Molar Refractivity
52.8171
Polarizability
20.943222
Polar Surface Area
35.25
Rotatable Bonds
3
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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