Molecule
ID:121103
General Information
Molecular Formula
C₇H₁₁N₃
Molecular Mass
137.18234
Exact Mass
137.09529737
Charge
0
InChI
InChI=1S/C7H11N3/c1-10-3-2-7(9)6(4-8)5-10/h2-3,5,9H2,1H3
InChIKey
ATXVSWXONNFECZ-UHFFFAOYSA-N
Canonic Smiles
CN1CC(=C(CC1)N)C#N
Isomeric Smiles
C1(=C(CCN(C1)C)N)C#N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.0306058
LogD (pH = 7.4)
-1.087935
Log P
-1.0425385
Molar Refractivity
41.7314
Polarizability
15.156487
Polar Surface Area
53.05
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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