Molecule

ID:37610

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄ClN₅O
Molecular Mass
207.66126
Exact Mass
207.08868777
Charge
0
InChI
InChI=1S/C6H13N5O.ClH/c7-5(8)10-6(9)11-1-3-12-4-2-11;/h1-4H2,(H5,7,8,9,10);1H
InChIKey
FXYZDFSNBBOHTA-UHFFFAOYSA-N
Canonic Smiles
N=C(N1CCOCC1)NC(=N)N.Cl
Isomeric Smiles
C(=N)(NC(=N)N)N1CCOCC1.Cl
Calculated Properties
JChem
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-5.9631705
LogD (pH = 7.4)
-5.6971397
Log P
-1.1369298
Molar Refractivity
65.7172
Polarizability
16.682163
Polar Surface Area
98.22
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
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Related Proteins
No Data Available
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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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