Molecule

ID:47809

General Information
Structure
Molecular Formula
C₁₁H₁₈N₂
Molecular Mass
178.27402
Exact Mass
178.14699859
Charge
0
InChI
InChI=1S/C11H18N2/c1-4-13(5-2)11-7-6-10(12)8-9(11)3/h6-8H,4-5,12H2,1-3H3
InChIKey
NXVHEHXRZVQDCR-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cc1C)N)CC
Isomeric Smiles
c1(c(cc(cc1)N)C)N(CC)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.31851298
LogD (pH = 7.4)
1.988179
Log P
2.479401
Molar Refractivity
59.7254
Polarizability
21.762445
Polar Surface Area
29.26
Rotatable Bonds
3
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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