Molecule

ID:69005

General Information
Structure
Molecular Formula
C₁₀H₁₃NO
Molecular Mass
163.21632
Exact Mass
163.09971404
Charge
0
InChI
InChI=1S/C10H13NO/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-5H,6-9H2
InChIKey
FHQRDEDZJIFJAL-UHFFFAOYSA-N
Canonic Smiles
O1CCN(CC1)c1ccccc1
Isomeric Smiles
N1(CCOCC1)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8627522
LogD (pH = 7.4)
1.8627888
Log P
1.8627893
Molar Refractivity
49.5611
Polarizability
18.800308
Polar Surface Area
12.47
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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