Molecule

ID:81801

General Information
Structure
MolImage
Molecular Formula
C₈H₉NS
Molecular Mass
151.22876
Exact Mass
151.04557029
Charge
0
InChI
InChI=1S/C8H9NS/c10-5-9-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-4H2
InChIKey
NQXLBONFJOFNHD-UHFFFAOYSA-N
Canonic Smiles
C1C(C2CC1C=C2)N=C=S
Isomeric Smiles
N(=C=S)C1C2C=CC(C1)C2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2506962
LogD (pH = 7.4)
2.2506962
Log P
2.2506962
Molar Refractivity
46.0769
Polarizability
17.659779
Polar Surface Area
12.36
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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