Molecule

ID:79955

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c1-3-4-5-6-12-7-9-13(10-8-12)11(2)14-15/h7-10,15H,3-6H2,1-2H3
InChIKey
WMBIDOSUXWMCSJ-UHFFFAOYSA-N
Canonic Smiles
CCCCCc1ccc(cc1)/C(=N/O)/C
Isomeric Smiles
N(=C(\c1ccc(cc1)CCCCC)/C)/O
Calculated Properties
JChem
Acid pKa
9.297496
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.8306077
LogD (pH = 7.4)
3.82661
Log P
3.8320692
Molar Refractivity
63.7277
Polarizability
24.564783
Polar Surface Area
32.59
Rotatable Bonds
5
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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