Molecule

ID:30593

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃N₃
Molecular Mass
139.19822
Exact Mass
139.11094743
Charge
0
InChI
InChI=1S/C7H13N3/c1-5(8)7-4-10(3)9-6(7)2/h4-5H,8H2,1-3H3
InChIKey
ZHCIXQMRFVTGGF-UHFFFAOYSA-N
Canonic Smiles
Cn1cc(c(n1)C)C(N)C
Isomeric Smiles
c1(c(nn(c1)C)C)C(N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.8911083
LogD (pH = 7.4)
-1.8073068
Log P
0.074819505
Molar Refractivity
52.4451
Polarizability
15.861401
Polar Surface Area
43.84
Rotatable Bonds
1
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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