Molecule

ID:84976

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO
Molecular Mass
217.30676
Exact Mass
217.14666423
Charge
0
InChI
InChI=1S/C14H19NO/c1-11-10-14(2,3)15-13(16-11)9-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChIKey
KDQDSZHGNOYQGK-UHFFFAOYSA-N
Canonic Smiles
CC1OC(=NC(C1)(C)C)Cc1ccccc1
Isomeric Smiles
N1=C(OC(CC1(C)C)C)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9382296
LogD (pH = 7.4)
2.9620087
Log P
2.9623206
Molar Refractivity
65.7296
Polarizability
25.765976
Polar Surface Area
21.59
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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