Molecule

ID:20164

General Information
Structure
Molecular Formula
C₁₅H₁₅NO
Molecular Mass
225.2857
Exact Mass
225.11536411
Charge
0
InChI
InChI=1S/C15H15NO/c16-13-5-8-14(9-6-13)17-15-7-4-11-2-1-3-12(11)10-15/h4-10H,1-3,16H2
InChIKey
IIHYVFFHRWAUPO-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)Oc1ccc2c(c1)CCC2
Isomeric Smiles
c12cc(Oc3ccc(N)cc3)ccc1CCC2
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.6250827
LogD (pH = 7.4)
3.6519392
Log P
3.6522925
Molar Refractivity
69.8804
Polarizability
26.459055
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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