Molecule

ID:50468

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀N₂
Molecular Mass
156.2685
Exact Mass
156.16264865
Charge
0
InChI
InChI=1S/C9H20N2/c1-2-6-11-7-4-9(8-11)3-5-10/h9H,2-8,10H2,1H3
InChIKey
LLORSIUDDJDXRH-UHFFFAOYSA-N
Canonic Smiles
CCCN1CCC(C1)CCN
Isomeric Smiles
N1(CC(CC1)CCN)CCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.7712064
LogD (pH = 7.4)
-4.8347545
Log P
0.74127835
Molar Refractivity
49.4605
Polarizability
19.657892
Polar Surface Area
29.26
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
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Molecule Details
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References
Bioactivity
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