Molecule

ID:13362

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₂
Molecular Mass
178.27402
Exact Mass
178.14699859
Charge
0
InChI
InChI=1S/C11H18N2/c1-2-13(10-6-9-12)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10,12H2,1H3
InChIKey
GHGKUGQRRXYXEJ-UHFFFAOYSA-N
Canonic Smiles
NCCCN(c1ccccc1)CC
Isomeric Smiles
c1cccc(c1)N(CCCN)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.485711
LogD (pH = 7.4)
-0.6263935
Log P
1.7010735
Molar Refractivity
58.0504
Polarizability
22.2472
Polar Surface Area
29.26
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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