Molecule

ID:24426

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₂
Molecular Mass
178.27402
Exact Mass
178.14699859
Charge
0
InChI
InChI=1S/C11H18N2/c1-12-8-5-9-13-10-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3
InChIKey
NRVBOBHGAXKYOL-UHFFFAOYSA-N
Canonic Smiles
CNCCCNCc1ccccc1
Isomeric Smiles
N(CCCNC)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.5424504
LogD (pH = 7.4)
-2.4749494
Log P
1.2271509
Molar Refractivity
56.8958
Polarizability
22.650887
Polar Surface Area
24.06
Rotatable Bonds
6
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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