Molecule
ID:15422
General Information
Molecular Formula
C₁₀H₁₅NO
Molecular Mass
165.2322
Exact Mass
165.11536411
Charge
0
InChI
InChI=1S/C10H15NO/c1-12-10(8-11)7-9-5-3-2-4-6-9/h2-6,10H,7-8,11H2,1H3
InChIKey
DIOGSRGTNMACOE-UHFFFAOYSA-N
Canonic Smiles
NCC(Cc1ccccc1)OC
Isomeric Smiles
C(c1ccccc1)C(OC)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5674359
LogD (pH = 7.4)
-0.49529788
Log P
1.400467
Molar Refractivity
50.0001
Polarizability
19.852566
Polar Surface Area
35.25
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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