Molecule

ID:128883

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO
Molecular Mass
165.2322
Exact Mass
165.11536411
Charge
0
InChI
InChI=1S/C10H15NO/c1-8(2)10-5-3-9(4-6-10)7-11-12/h3,7,10,12H,1,4-6H2,2H3/t10-/m1/s1
InChIKey
XCOJIVIDDFTHGB-SNVBAGLBSA-N
Canonic Smiles
O/N=C/C1=CC[C@H](CC1)C(=C)C
Isomeric Smiles
CC(=C)[C@H]1CCC(=CC1)/C=N/O
Calculated Properties
JChem
Acid pKa
11.469769
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2579293
LogD (pH = 7.4)
2.2622745
Log P
2.2623687
Molar Refractivity
51.0938
Polarizability
19.361795
Polar Surface Area
32.59
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
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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