Molecule

ID:52083

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NOS
Molecular Mass
189.23368
Exact Mass
189.02483485
Charge
0
InChI
InChI=1S/C10H7NOS/c12-10(11-8-13)7-6-9-4-2-1-3-5-9/h1-7H/b7-6+
InChIKey
MIQIHUSOWHSPPO-VOTSOKGWSA-N
Canonic Smiles
S=C=NC(=O)/C=C/c1ccccc1
Isomeric Smiles
C(=O)(/C=C/c1ccccc1)N=C=S
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.741911
LogD (pH = 7.4)
2.741911
Log P
2.741911
Molar Refractivity
56.2145
Polarizability
21.49346
Polar Surface Area
29.43
Rotatable Bonds
2
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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