Molecule

ID:69328

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂N₂
Molecular Mass
182.30578
Exact Mass
182.17829871
Charge
0
InChI
InChI=1S/C11H22N2/c1-12-7-5-6-11(12)10-13-8-3-2-4-9-13/h11H,2-10H2,1H3/t11-/m1/s1
InChIKey
VCVPSRADUBPOKJ-LLVKDONJSA-N
Canonic Smiles
CN1CCC[C@@H]1CN1CCCCC1
Isomeric Smiles
N1(CCCCC1)C[C@@H]1N(CCC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-2.63377
LogD (pH = 7.4)
-1.2103077
Log P
1.5247446
Molar Refractivity
57.3604
Polarizability
22.610828
Polar Surface Area
6.48
Rotatable Bonds
2
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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