Chemical ID: 5447507

Cc1nc-2c(s1)CCc3c2cccc3
Chemical ID:
5447507
Name [?]:
None
SMILES [?]:
Cc1nc-2c(s1)CCc3c2cccc3
InChi [?]:
InChI=1/C12H11NS/c1-8-13-12-10-5-3-2-4-9(10)6-7-11(12)14-8/h2-5H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,11,8,7,2,9,10,5,4,3,6/rA:14nCCNCCSCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s4s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11NS
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.96056
Area:357.638
Solvation:-0.980392
Coulombic:-6.91115
Bond Count [?]
All:16
Single:11
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:201.288
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.24
LogP (Chemaxon):2.8

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