Molecule

ID:46017

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NO
Molecular Mass
163.21632
Exact Mass
163.09971404
Charge
0
InChI
InChI=1S/C10H13NO/c1-8-4-2-3-5-10(8)12-9-6-11-7-9/h2-5,9,11H,6-7H2,1H3
InChIKey
CUEMUHHZSLOMTD-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1OC1CNC1
Isomeric Smiles
N1CC(Oc2c(C)cccc2)C1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0070214
LogD (pH = 7.4)
0.6376844
Log P
1.8528347
Molar Refractivity
47.988
Polarizability
19.101126
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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