Chemical ID: 6116653

c1cc(ccc1Cc2cc3c(ccs3)c4ccsc4c2=O)Cl
Chemical ID:
6116653
Name [?]:
None
SMILES [?]:
c1cc(ccc1Cc2cc3c(ccs3)c4ccsc4c2=O)Cl
InChi [?]:
InChI=1/C18H11ClOS2/c19-13-3-1-11(2-4-13)9-12-10-16-14(5-7-21-16)15-6-8-22-18(15)17(12)20/h1-8,10H,9H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,12,16,13,17,7,9,6,8,3,11,15,10,20,19,22,21,14,18/E:(1,2)(3,4)/rA:22nCCCCCCCCCCCCCSCCCSCCOCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;s11;d12;s10s13;s11;s15;d16;s17;d15s18;s8s19;d20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H11ClOS2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.709
Area:508.78
Solvation:-2.01049
Coulombic:-12.3961
Bond Count [?]
All:25
Single:16
Double:9
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:342.864
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.95
LogP (Chemaxon):6.28

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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