Molecule

ID:11558

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃N₃
Molecular Mass
233.35252
Exact Mass
233.18919775
Charge
0
InChI
InChI=1S/C14H23N3/c15-7-4-8-16-9-11-17(12-10-16)13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13,15H2
InChIKey
DQZBCJSBHYEUAY-UHFFFAOYSA-N
Canonic Smiles
NCCCN1CCN(CC1)Cc1ccccc1
Isomeric Smiles
C1N(CCN(C1)CCCN)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.683127
LogD (pH = 7.4)
-2.468493
Log P
1.0247381
Molar Refractivity
73.466
Polarizability
28.96421
Polar Surface Area
32.5
Rotatable Bonds
5
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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