Molecule

ID:35680

General Information
Structure
Molecular Formula
C₁₁H₁₈N₂
Molecular Mass
178.27402
Exact Mass
178.14699859
Charge
0
InChI
InChI=1S/C11H18N2/c1-3-13(8-7-12)11-6-4-5-10(2)9-11/h4-6,9H,3,7-8,12H2,1-2H3
InChIKey
FTMVEUXYYDLYFH-UHFFFAOYSA-N
Canonic Smiles
NCCN(c1cccc(c1)C)CC
Isomeric Smiles
c1(N(CCN)CC)cc(ccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8456256
LogD (pH = 7.4)
0.004026504
Log P
2.1545353
Molar Refractivity
58.2262
Polarizability
22.166138
Polar Surface Area
29.26
Rotatable Bonds
4
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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