Molecule

ID:13634

General Information
Structure
Molecular Formula
C₇H₁₃N₃
Molecular Mass
139.19822
Exact Mass
139.11094743
Charge
0
InChI
InChI=1S/C7H13N3/c1-3-4-10-7(8)6(2)5-9-10/h5H,3-4,8H2,1-2H3
InChIKey
KUKRPMVQKPWSLT-UHFFFAOYSA-N
Canonic Smiles
CCCn1ncc(c1N)C
Isomeric Smiles
c1(cnn(c1N)CCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0495403
LogD (pH = 7.4)
1.0541635
Log P
1.0542227
Molar Refractivity
53.2289
Polarizability
15.47668
Polar Surface Area
43.84
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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