Molecule

ID:131570

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀ClN₅O₃
Molecular Mass
281.7398
Exact Mass
281.12546721
Charge
0
InChI
InChI=1S/C9H19N5O3.ClH/c10-6(2-1-4-14-9(11)12)8(17)13-5-3-7(15)16;/h6H,1-5,10H2,(H,13,17)(H,15,16)(H4,11,12,14);1H/t6-;/m0./s1
InChIKey
FIOGKBNTZVYASN-RGMNGODLSA-N
Canonic Smiles
NC(=N)NCCC[C@@H](C(=O)NCCC(=O)O)N.Cl
Isomeric Smiles
C(C[C@@H](C(=O)NCCC(=O)O)N)CNC(=N)N.Cl
Calculated Properties
JChem
Acid pKa
4.0854692
H Acceptors
7
H Donor
6
LogD (pH = 5.5)
-6.4482503
LogD (pH = 7.4)
-4.743433
Log P
-4.0097117
Molar Refractivity
71.426
Polarizability
23.677885
Polar Surface Area
154.32
Rotatable Bonds
8
Lipinski's Rule of Five
false
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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