Chemical ID: 6224129

CC(=O)Nc1nc-2c(s1)COc3c2cccc3
Chemical ID:
6224129
Name [?]:
None
SMILES [?]:
CC(=O)Nc1nc-2c(s1)COc3c2cccc3
InChi [?]:
InChI=1/C12H10N2O2S/c1-7(15)13-12-14-11-8-4-2-3-5-9(8)16-6-10(11)17-12/h2-5H,6H2,1H3,(H,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,15,16,14,17,10,2,13,12,8,7,5,4,6,3,11,9/rA:17nCCONCNCCSCOCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s5s8;s8;s10;s11;s7s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10N2O2S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.17435
Area:406.741
Solvation:-2.99418
Coulombic:-33.564
Bond Count [?]
All:19
Single:13
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:246.286
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.34
LogP (Chemaxon):1.94

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Descriptor Annotations

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