Molecule

ID:31756

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃NO
Molecular Mass
151.20562
Exact Mass
151.09971404
Charge
0
InChI
InChI=1S/C9H13NO/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
InChIKey
IKYFHRVPKIFGMH-UHFFFAOYSA-N
Canonic Smiles
CC(COc1ccccc1)N
Isomeric Smiles
O(c1ccccc1)CC(N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5552195
LogD (pH = 7.4)
-0.63644385
Log P
1.4351658
Molar Refractivity
44.8898
Polarizability
18.071516
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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