Molecule

ID:16955

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀N₂
Molecular Mass
156.2685
Exact Mass
156.16264865
Charge
0
InChI
InChI=1S/C9H20N2/c1-10-6-5-9-11-7-3-2-4-8-11/h10H,2-9H2,1H3
InChIKey
XQESRORWDXYILU-UHFFFAOYSA-N
Canonic Smiles
CNCCCN1CCCCC1
Isomeric Smiles
N1(CCCNC)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.250197
LogD (pH = 7.4)
-3.146526
Log P
0.7360919
Molar Refractivity
49.7199
Polarizability
19.657892
Polar Surface Area
15.27
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
No Data Available
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Molecule Details
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References
Bioactivity
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