Molecule

ID:87325

General Information
Structure
MolImage
Molecular Formula
C₄H₁₂N₂
Molecular Mass
88.15148
Exact Mass
88.10004839
Charge
0
InChI
InChI=1S/C4H12N2/c1-4(2,6)3-5/h3,5-6H2,1-2H3
InChIKey
OPCJOXGBLDJWRM-UHFFFAOYSA-N
Canonic Smiles
NCC(N)(C)C
Isomeric Smiles
NCC(C)(C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-5.4715667
LogD (pH = 7.4)
-3.4195433
Log P
-0.72529095
Molar Refractivity
26.9256
Polarizability
11.1656475
Polar Surface Area
52.04
Rotatable Bonds
1
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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