Molecule

ID:60337

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃N₃
Molecular Mass
139.19822
Exact Mass
139.11094743
Charge
0
InChI
InChI=1S/C7H13N3/c1-2-7-9-4-6-10(7)5-3-8/h4,6H,2-3,5,8H2,1H3
InChIKey
BOANVMYDGKUJAC-UHFFFAOYSA-N
Canonic Smiles
NCCn1ccnc1CC
Isomeric Smiles
n1(c(ncc1)CC)CCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.8904526
LogD (pH = 7.4)
-2.3038063
Log P
0.105068624
Molar Refractivity
40.9269
Polarizability
15.87393
Polar Surface Area
43.84
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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