Molecule

ID:9426

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO
Molecular Mass
213.275
Exact Mass
213.11536411
Charge
0
InChI
InChI=1S/C14H15NO/c15-11-10-12-6-4-5-9-14(12)16-13-7-2-1-3-8-13/h1-9H,10-11,15H2
InChIKey
OZUNHSMQAVTNLW-UHFFFAOYSA-N
Canonic Smiles
NCCc1ccccc1Oc1ccccc1
Isomeric Smiles
c1c(c(ccc1)CCN)Oc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.116173096
LogD (pH = 7.4)
0.664689
Log P
2.8879626
Molar Refractivity
65.5272
Polarizability
25.83807
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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