Chemical ID: 4912641

c1ccc2c(c1)Cn3cccc3C(=O)S2
Chemical ID:
4912641
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)Cn3cccc3C(=O)S2
InChi [?]:
InChI=1/C12H9NOS/c14-12-10-5-3-7-13(10)8-9-4-1-2-6-11(9)15-12/h1-7H,8H2
InChi Info:
AuxInfo=1/0/N:1,2,10,6,11,3,9,7,5,12,4,13,8,14,15/rA:15nCCCCCCCNCCCCCOS/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;s8d11;s12;d13;s4s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9NOS
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.38655
Area:362.896
Solvation:-1.68584
Coulombic:-18.011
Bond Count [?]
All:17
Single:11
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:215.272
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.63
LogP (Chemaxon):2.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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