Molecule

ID:74497

General Information
Structure
MolImage
Molecular Formula
C₈H₂₀N₂
Molecular Mass
144.2578
Exact Mass
144.16264865
Charge
0
InChI
InChI=1S/C8H20N2/c1-7(2)10(6-5-9)8(3)4/h7-8H,5-6,9H2,1-4H3
InChIKey
CURJNMSGPBXOGK-UHFFFAOYSA-N
Canonic Smiles
NCCN(C(C)C)C(C)C
Isomeric Smiles
N(CCN)(C(C)C)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.9245703
LogD (pH = 7.4)
-1.8843056
Log P
0.9399516
Molar Refractivity
46.2727
Polarizability
18.552586
Polar Surface Area
29.26
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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