Molecule

ID:114347

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁N₅
Molecular Mass
247.33934
Exact Mass
247.1796957
Charge
0
InChI
InChI=1S/C13H21N5/c1-2-6-17(7-3-1)12-10-13(16-11-15-12)18-8-4-14-5-9-18/h10-11,14H,1-9H2
InChIKey
OWEMOAFNBCGPTF-UHFFFAOYSA-N
Canonic Smiles
C1CCN(CC1)c1ncnc(c1)N1CCNCC1
Isomeric Smiles
c1(cc(N2CCCCC2)ncn1)N1CCNCC1
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-2.2204764
LogD (pH = 7.4)
0.33373055
Log P
1.769176
Molar Refractivity
75.1039
Polarizability
27.450472
Polar Surface Area
44.29
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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