Chemical ID: 3995729

Cc1c2c(nc3n(c2=O)CCC3)sc1C(=O)O
Chemical ID:
3995729
Name [?]:
None
SMILES [?]:
Cc1c2c(nc3n(c2=O)CCC3)sc1C(=O)O
InChi [?]:
InChI=1/C11H10N2O3S/c1-5-7-9(17-8(5)11(15)16)12-6-3-2-4-13(6)10(7)14/h2-4H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,11,12,10,2,6,3,14,4,8,15,5,7,9,16,17,13/E:(15,16)/rA:17nCCCCNCNCOCCCSCCOO/rB:s1;s2;d3;s4;d5;s6;s3s7;d8;s7;s10;s6s11;s4;d2s13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10N2O3S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.41266
Area:391.97
Solvation:-2.38658
Coulombic:-48.2848
Bond Count [?]
All:19
Single:14
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:250.275
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:-0.25
LogP (Chemaxon):1.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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