Molecule

ID:52067

General Information
Structure
MolImage
Molecular Formula
C₇H₇ClN₂O
Molecular Mass
170.59628
Exact Mass
170.02469053
Charge
0
InChI
InChI=1S/C7H7ClN2O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,9H2,(H,10,11)
InChIKey
PKBGHORNUFQAAW-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccc(cc1)Cl
Isomeric Smiles
C(=O)(c1ccc(cc1)Cl)NN
Calculated Properties
JChem
Acid pKa
14.18638
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.1305771
LogD (pH = 7.4)
1.131444
Log P
1.1314551
Molar Refractivity
44.4253
Polarizability
16.490515
Polar Surface Area
55.12
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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