Molecule

ID:18951

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂ClN₃O₂
Molecular Mass
205.64208
Exact Mass
205.06180432
Charge
0
InChI
InChI=1S/C7H11N3O2.ClH/c11-5-7(10-6(12)9-5)1-3-8-4-2-7;/h8H,1-4H2,(H2,9,10,11,12);1H
InChIKey
USBLZEFCYGBDBO-UHFFFAOYSA-N
Canonic Smiles
O=C1NC(=O)NC21CCNCC2.Cl
Isomeric Smiles
N1C(=O)NC2(C1=O)CCNCC2.Cl
Calculated Properties
JChem
Acid pKa
7.2866874
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-4.717524
LogD (pH = 7.4)
-3.8034353
Log P
-3.576387
Molar Refractivity
41.2423
Polarizability
16.191713
Polar Surface Area
70.23
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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