Molecule
ID:20353
General Information
Molecular Formula
C₁₃H₁₃NO
Molecular Mass
199.24842
Exact Mass
199.09971404
Charge
0
InChI
InChI=1S/C13H13NO/c1-10-9-11(14)7-8-13(10)15-12-5-3-2-4-6-12/h2-9H,14H2,1H3
InChIKey
QIELAZSZUTUYSQ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C)Oc1ccccc1
Isomeric Smiles
c1(c(cc(N)cc1)C)Oc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.1047926
LogD (pH = 7.4)
3.1573155
Log P
3.1580284
Molar Refractivity
62.0404
Polarizability
23.589474
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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