Molecule

ID:24490

General Information
Structure
MolImage
Molecular Formula
C₇H₁₈N₂
Molecular Mass
130.23122
Exact Mass
130.14699859
Charge
0
InChI
InChI=1S/C7H18N2/c1-3-8-6-5-7-9-4-2/h8-9H,3-7H2,1-2H3
InChIKey
BEPGHZIEOVULBU-UHFFFAOYSA-N
Canonic Smiles
CCNCCCNCC
Isomeric Smiles
N(CCCNCC)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-5.8919563
LogD (pH = 7.4)
-4.046788
Log P
0.21629377
Molar Refractivity
41.7804
Polarizability
16.705751
Polar Surface Area
24.06
Rotatable Bonds
6
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
No Data Available
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Molecule Details
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References
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Bioactivity
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