Molecule

ID:9430

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO
Molecular Mass
213.275
Exact Mass
213.11536411
Charge
0
InChI
InChI=1S/C14H15NO/c15-11-10-12-6-8-14(9-7-12)16-13-4-2-1-3-5-13/h1-9H,10-11,15H2
InChIKey
JNHPLGDXCJAUBX-UHFFFAOYSA-N
Canonic Smiles
NCCc1ccc(cc1)Oc1ccccc1
Isomeric Smiles
c1cc(ccc1Oc1ccccc1)CCN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.12262026
LogD (pH = 7.4)
0.5720176
Log P
2.8879626
Molar Refractivity
65.5272
Polarizability
25.836445
Polar Surface Area
35.25
Rotatable Bonds
4
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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