Molecule

ID:20512

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃NO
Molecular Mass
199.24842
Exact Mass
199.09971404
Charge
0
InChI
InChI=1S/C13H13NO/c1-10-9-12(7-8-13(10)14)15-11-5-3-2-4-6-11/h2-9H,14H2,1H3
InChIKey
LOXZCYZBCSAIIF-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1C)Oc1ccccc1
Isomeric Smiles
c1(c(ccc(c1)Oc1ccccc1)N)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.1350613
LogD (pH = 7.4)
3.1577315
Log P
3.1580284
Molar Refractivity
62.0404
Polarizability
23.58856
Polar Surface Area
35.25
Rotatable Bonds
2
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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