Molecule

ID:31904

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO
Molecular Mass
213.275
Exact Mass
213.11536411
Charge
0
InChI
InChI=1S/C14H15NO/c15-13-7-4-8-14(11-13)16-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10,15H2
InChIKey
ATANNAJKSFDCGR-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)OCCc1ccccc1
Isomeric Smiles
c1c(N)cccc1OCCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9859946
LogD (pH = 7.4)
2.9996066
Log P
2.9997828
Molar Refractivity
66.5892
Polarizability
25.37681
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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