Molecule

ID:48448

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃N₃
Molecular Mass
233.35252
Exact Mass
233.18919775
Charge
0
InChI
InChI=1S/C14H23N3/c1-2-17(13-8-4-3-5-9-13)14-12(11-15)7-6-10-16-14/h6-7,10,13H,2-5,8-9,11,15H2,1H3
InChIKey
BOBLSHSQTOBYTC-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ncccc1CN)C1CCCCC1
Isomeric Smiles
c1(N(C2CCCCC2)CC)c(CN)cccn1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.12085063
LogD (pH = 7.4)
1.3935235
Log P
2.7399218
Molar Refractivity
72.8794
Polarizability
27.955463
Polar Surface Area
42.15
Rotatable Bonds
4
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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