Molecule

ID:101382

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO
Molecular Mass
213.275
Exact Mass
213.11536411
Charge
0
InChI
InChI=1S/C14H15NO/c1-15-11-12-6-5-9-14(10-12)16-13-7-3-2-4-8-13/h2-10,15H,11H2,1H3
InChIKey
GDVLOOQWWBPGSV-UHFFFAOYSA-N
Canonic Smiles
CNCc1cccc(c1)Oc1ccccc1
Isomeric Smiles
O(c1cc(CNC)ccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.1381238
LogD (pH = 7.4)
0.9720349
Log P
3.0318818
Molar Refractivity
65.5468
Polarizability
25.914747
Polar Surface Area
21.26
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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