Molecule

ID:35407

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂N₄O
Molecular Mass
226.31858
Exact Mass
226.17936134
Charge
0
InChI
InChI=1S/C11H22N4O/c1-13-6-8-15(9-7-13)11(16)10-14-4-2-12-3-5-14/h12H,2-10H2,1H3
InChIKey
YKBNLKDKAFTDRN-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)C(=O)CN1CCNCC1
Isomeric Smiles
N1(C(=O)CN2CCNCC2)CCN(CC1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-5.927601
LogD (pH = 7.4)
-3.0553405
Log P
-1.3802465
Molar Refractivity
64.4938
Polarizability
25.321041
Polar Surface Area
38.82
Rotatable Bonds
2
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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