Molecule

ID:11585

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈N₂
Molecular Mass
154.25262
Exact Mass
154.14699859
Charge
0
InChI
InChI=1S/C9H18N2/c1-2-4-9(3-1)11-7-5-10-6-8-11/h9-10H,1-8H2
InChIKey
PVMCQBPJKPMOKM-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)C1CCCC1
Isomeric Smiles
N1(C2CCCC2)CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.4154994
LogD (pH = 7.4)
-1.5423836
Log P
1.008943
Molar Refractivity
47.1567
Polarizability
18.918522
Polar Surface Area
15.27
Rotatable Bonds
1
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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