Molecule

ID:101150

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO
Molecular Mass
229.31746
Exact Mass
229.14666423
Charge
0
InChI
InChI=1S/C15H19NO/c1-14(2)7-8-15(3,4)13-9-11(16-10-17)5-6-12(13)14/h5-6,9H,7-8H2,1-4H3
InChIKey
LXYXLYBFNUDHOM-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1ccc2c(c1)C(C)(C)CCC2(C)C
Isomeric Smiles
c12c(C(CCC1(C)C)(C)C)ccc(N=C=O)c2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.509188
LogD (pH = 7.4)
4.509188
Log P
4.509188
Molar Refractivity
70.6596
Polarizability
26.483553
Polar Surface Area
29.43
Rotatable Bonds
1
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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