Molecule
ID:29124
General Information
Molecular Formula
C₁₄H₁₅NO
Molecular Mass
213.275
Exact Mass
213.11536411
Charge
0
InChI
InChI=1S/C14H15NO/c1-16-14-10-6-5-9-13(14)15-11-12-7-3-2-4-8-12/h2-10,15H,11H2,1H3
InChIKey
OXCREIAATRYJNU-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1NCc1ccccc1
Isomeric Smiles
N(c1c(OC)cccc1)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
19.04986
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9880607
LogD (pH = 7.4)
3.012505
Log P
3.0128257
Molar Refractivity
67.3276
Polarizability
25.454845
Polar Surface Area
21.26
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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