Chemical ID: 6497570

CC1=CC(=O)Nc2ccccc2S1
Chemical ID:
6497570
Name [?]:
5-methyl-6-thia-2-azabicyclo[5.4.0]undeca-4,8,10,12-tetraen-3-one
SMILES [?]:
CC1=CC(=O)Nc2ccccc2S1
InChi [?]:
InChI=1/C10H9NOS/c1-7-6-10(12)11-8-4-2-3-5-9(8)13-7/h2-6H,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,9,10,8,11,3,2,7,12,4,6,5,13/rA:13nCCCCONCCCCCCS/rB:s1;d2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s2s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9NOS
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.16131
Area:343.812
Solvation:-1.43399
Coulombic:-22.3821
Bond Count [?]
All:14
Single:9
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:191.251
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.68
LogP (Chemaxon):1.49

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue