Molecule

ID:33628

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₃N₃
Molecular Mass
269.38462
Exact Mass
269.18919775
Charge
0
InChI
InChI=1S/C17H23N3/c18-15-17(20-10-4-5-11-20)8-12-19(13-9-17)14-16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-14H2
InChIKey
QYTCSUCLFRIBLQ-UHFFFAOYSA-N
Canonic Smiles
N#CC1(CCN(CC1)Cc1ccccc1)N1CCCC1
Isomeric Smiles
C1(N2CCCC2)(C#N)CCN(CC1)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.55616605
LogD (pH = 7.4)
1.3012528
Log P
2.1113255
Molar Refractivity
82.6965
Polarizability
32.047348
Polar Surface Area
30.27
Rotatable Bonds
3
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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