Molecule

ID:70032

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁N₃
Molecular Mass
137.18234
Exact Mass
137.09529737
Charge
0
InChI
InChI=1S/C7H11N3/c1-2-9-7-5-6(8)3-4-10-7/h3-5H,2H2,1H3,(H3,8,9,10)
InChIKey
NNXBBUGFOJVAKK-UHFFFAOYSA-N
Canonic Smiles
CCNc1cc(N)ccn1
Isomeric Smiles
c1(cc(ccn1)N)NCC
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.1390971
LogD (pH = 7.4)
-1.0888363
Log P
0.35069105
Molar Refractivity
43.8574
Polarizability
15.386068
Polar Surface Area
50.94
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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