Molecule

ID:85195

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅N
Molecular Mass
219.3657
Exact Mass
219.19869981
Charge
0
InChI
InChI=1S/C15H25N/c1-10-8-11(14(2,3)4)9-12(13(10)16)15(5,6)7/h8-9H,16H2,1-7H3
InChIKey
KOENVNBHHIFQKL-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(cc(c1N)C(C)(C)C)C(C)(C)C
Isomeric Smiles
Nc1c(cc(cc1C)C(C)(C)C)C(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.7238345
LogD (pH = 7.4)
4.747543
Log P
4.7478538
Molar Refractivity
73.1314
Polarizability
27.870607
Polar Surface Area
26.02
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
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References
Bioactivity
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