Molecule

ID:24302

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁N₃
Molecular Mass
231.33664
Exact Mass
231.17354769
Charge
0
InChI
InChI=1S/C14H21N3/c1-3-17(4-2)14-8-6-13(7-9-14)12-16-11-5-10-15/h6-9,16H,3-5,11-12H2,1-2H3
InChIKey
VOAATGBAGYSFRA-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cc1)CNCCC#N)CC
Isomeric Smiles
N#CCCNCc1ccc(N(CC)CC)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.07293825
LogD (pH = 7.4)
1.7726753
Log P
2.1261992
Molar Refractivity
72.9951
Polarizability
27.585342
Polar Surface Area
39.06
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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