Molecule

ID:13374

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄N₄O
Molecular Mass
264.36656
Exact Mass
264.19501141
Charge
0
InChI
InChI=1S/C14H24N4O/c1-18(2)12-6-9-15-8-5-11-17-14(19)13-7-3-4-10-16-13/h3-4,7,10,15H,5-6,8-9,11-12H2,1-2H3,(H,17,19)
InChIKey
ZNYTXVCMDSUCAP-UHFFFAOYSA-N
Canonic Smiles
CN(CCCNCCCNC(=O)c1ccccn1)C
Isomeric Smiles
c1cnc(cc1)C(=O)NCCCNCCCN(C)C
Calculated Properties
JChem
Acid pKa
14.5839405
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-5.7495418
LogD (pH = 7.4)
-3.5946527
Log P
-0.01009934
Molar Refractivity
77.9785
Polarizability
30.052992
Polar Surface Area
57.26
Rotatable Bonds
9
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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