Molecule

ID:73095

General Information
Structure
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Molecular Formula
C₁₀H₁₆ClN₅
Molecular Mass
241.72054
Exact Mass
241.10942322
Charge
0
InChI
InChI=1S/C10H15N5.ClH/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H6,11,12,13,14,15);1H
InChIKey
YSUCWSWKRIOILX-UHFFFAOYSA-N
Canonic Smiles
N=C(NC(=N)N)NCCc1ccccc1.Cl
Isomeric Smiles
c1ccc(cc1)CCNC(=N)NC(=N)N.Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
5
LogD (pH = 5.5)
-3.9934607
LogD (pH = 7.4)
-3.7257519
Log P
0.832729
Molar Refractivity
80.7156
Polarizability
22.477764
Polar Surface Area
97.78
Rotatable Bonds
3
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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