Molecule

ID:75348

General Information
Structure
Molecular Formula
C₈H₁₈N₂
Molecular Mass
142.24192
Exact Mass
142.14699859
Charge
0
InChI
InChI=1S/C8H18N2/c1-3-10-6-4-5-8(10)7-9-2/h8-9H,3-7H2,1-2H3
InChIKey
GIMRAHPLZCMZKC-UHFFFAOYSA-N
Canonic Smiles
CNCC1CCCN1CC
Isomeric Smiles
N1(C(CCC1)CNC)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.5605507
LogD (pH = 7.4)
-2.3664353
Log P
0.6481385
Molar Refractivity
44.6723
Polarizability
17.811394
Polar Surface Area
15.27
Rotatable Bonds
3
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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