Molecule

ID:28368

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃N₃
Molecular Mass
139.19822
Exact Mass
139.11094743
Charge
0
InChI
InChI=1S/C7H13N3/c1-7-3-5-9-10(7)6-2-4-8/h3,5H,2,4,6,8H2,1H3
InChIKey
XSPHDDUROPJBIC-UHFFFAOYSA-N
Canonic Smiles
NCCCn1nccc1C
Isomeric Smiles
n1(nccc1C)CCCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.1626127
LogD (pH = 7.4)
-2.8012528
Log P
-0.13635688
Molar Refractivity
52.9263
Polarizability
15.867064
Polar Surface Area
43.84
Rotatable Bonds
3
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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