Chemical ID: 5182146

c1ccc(cc1)C2=Cc3cccn3-c4ccccc4S2(=O)=O
Chemical ID:
5182146
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C2=Cc3cccn3-c4ccccc4S2(=O)=O
InChi [?]:
InChI=1/C18H13NO2S/c20-22(21)17-11-5-4-10-16(17)19-12-6-9-15(19)13-18(22)14-7-2-1-3-8-14/h1-13H
InChi Info:
AuxInfo=1/0/N:1,2,6,16,17,11,3,5,10,15,18,12,8,4,9,14,19,7,13,21,22,20/E:(2,3)(7,8)(20,21)/CRV:22.6/rA:22nCCCCCCCCCCCCNCCCCCCSOO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s10;d11;s9s12;s13;s14;d15;s16;d17;d14s18;s7s19;d20;d20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13NO2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.01607
Area:459.647
Solvation:-2.47511
Coulombic:-12.2662
Bond Count [?]
All:25
Single:14
Double:11
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:307.367
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.78
LogP (Chemaxon):2.73

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