Molecule

ID:11552

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀N₂
Molecular Mass
156.2685
Exact Mass
156.16264865
Charge
0
InChI
InChI=1S/C9H20N2/c1-8-4-3-5-9(2)11(8)7-6-10/h8-9H,3-7,10H2,1-2H3
InChIKey
DQQHMRVHTMHDGE-UHFFFAOYSA-N
Canonic Smiles
NCCN1C(C)CCCC1C
Isomeric Smiles
N1(C(CCCC1C)C)CCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.7792635
LogD (pH = 7.4)
-1.6792312
Log P
1.0767019
Molar Refractivity
48.9175
Polarizability
19.657892
Polar Surface Area
29.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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