Molecule

ID:101151

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃N
Molecular Mass
217.34982
Exact Mass
217.18304974
Charge
0
InChI
InChI=1S/C15H23N/c1-14(2)7-8-15(3,4)13-9-11(10-16)5-6-12(13)14/h5-6,9H,7-8,10,16H2,1-4H3
InChIKey
GVSNYOXKXQRGRC-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc2c(c1)C(C)(C)CCC2(C)C
Isomeric Smiles
c12c(C(CCC1(C)C)(C)C)ccc(c2)CN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.73248005
LogD (pH = 7.4)
1.6292478
Log P
3.725401
Molar Refractivity
70.061
Polarizability
27.61018
Polar Surface Area
26.02
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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