Molecule

ID:112612

General Information
Structure
MolImage
Molecular Formula
C₁₂H₃₀N₄
Molecular Mass
230.3934
Exact Mass
230.24704698
Charge
0
InChI
InChI=1S/C12H30N4/c1-13(2)7-9-15(5)11-12-16(6)10-8-14(3)4/h7-12H2,1-6H3
InChIKey
DWFKOMDBEKIATP-UHFFFAOYSA-N
Canonic Smiles
CN(CCN(C)C)CCN(CCN(C)C)C
Isomeric Smiles
CN(C)CCN(C)CCN(C)CCN(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-6.667129
LogD (pH = 7.4)
-3.597352
Log P
0.24610303
Molar Refractivity
74.0454
Polarizability
28.977026
Polar Surface Area
12.96
Rotatable Bonds
9
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
References
Bioactivity
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