Molecule

ID:60931

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃N₃
Molecular Mass
139.19822
Exact Mass
139.11094743
Charge
0
InChI
InChI=1S/C7H13N3/c1-5-4-7(2,3)10-6(8)9-5/h4H,1-3H3,(H3,8,9,10)
InChIKey
BPAJEVCTCJTYKP-UHFFFAOYSA-N
Canonic Smiles
CC1=CC(N=C(N1)N)(C)C
Isomeric Smiles
C1(=NC(C=C(N1)C)(C)C)N
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.252379
LogD (pH = 7.4)
-2.250255
Log P
0.16305283
Molar Refractivity
42.8704
Polarizability
15.650291
Polar Surface Area
50.41
Rotatable Bonds
0
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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