Molecule
ID:19535
General Information
Molecular Formula
C₁₄H₁₅NO
Molecular Mass
213.275
Exact Mass
213.11536411
Charge
0
InChI
InChI=1S/C14H15NO/c1-10-7-8-12(9-11(10)2)16-14-6-4-3-5-13(14)15/h3-9H,15H2,1-2H3
InChIKey
POEVRCLIJGRILN-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1Oc1ccc(c(c1)C)C
Isomeric Smiles
O(c1c(N)cccc1)c1cc(c(cc1)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.6694446
LogD (pH = 7.4)
3.6714246
Log P
3.67145
Molar Refractivity
67.0816
Polarizability
25.356165
Polar Surface Area
35.25
Rotatable Bonds
2
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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