Molecule

ID:79723

General Information
Structure
Molecular Formula
C₁₁H₁₈N₂
Molecular Mass
178.27402
Exact Mass
178.14699859
Charge
0
InChI
InChI=1S/C11H18N2/c1-3-13(4-2)10-8-11-7-5-6-9-12-11/h5-7,9H,3-4,8,10H2,1-2H3
InChIKey
PMDWLPBLYZHLHW-UHFFFAOYSA-N
Canonic Smiles
CCN(CCc1ccccn1)CC
Isomeric Smiles
n1c(cccc1)CCN(CC)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.5973668
LogD (pH = 7.4)
-0.15294738
Log P
1.7290707
Molar Refractivity
56.1182
Polarizability
21.960043
Polar Surface Area
16.13
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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