Chemical ID: 5212946

Cc1cc(=O)n2c3ccc(cc3sc2n1)Cl
Chemical ID:
5212946
Name [?]:
None
SMILES [?]:
Cc1cc(=O)n2c3ccc(cc3sc2n1)Cl
InChi [?]:
InChI=1/C11H7ClN2OS/c1-6-4-10(15)14-8-3-2-7(12)5-9(8)16-11(14)13-6/h2-5H,1H3
InChi Info:
AuxInfo=1/0/N:1,9,8,3,11,2,10,7,12,4,14,16,15,6,5,13/rA:16nCCCCONCCCCCCSCNCl/rB:s1;d2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s6s13;s2d14;s10;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H7ClN2OS
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.51356
Area:399.206
Solvation:-1.46658
Coulombic:-22.5754
Bond Count [?]
All:18
Single:12
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:250.705
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.09
LogP (Chemaxon):2.94

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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