Chemical ID: 6422186

c1ccc2c(c1)CSc3c(ccs3)C2=CCCBr
Chemical ID:
6422186
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)CSc3c(ccs3)C2=CCCBr
InChi [?]:
InChI=1/C15H13BrS2/c16-8-3-6-13-12-5-2-1-4-11(12)10-18-15-14(13)7-9-17-15/h1-2,4-7,9H,3,8,10H2
InChi Info:
AuxInfo=1/0/N:1,2,16,6,3,15,11,17,12,7,5,4,14,10,9,18,13,8/rA:18nCCCCCCCSCCCCSCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;s9s12;s4s10;w14;s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13BrS2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:10.1832
Area:456.198
Solvation:-1.22177
Coulombic:-4.56901
Bond Count [?]
All:20
Single:14
Double:6
Rotors:2
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:337.3
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.79
LogP (Chemaxon):5.12

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