Chemical ID: 7656577

Cc1c(sc(n1)N2CCCC2=O)C(=O)O
Chemical ID:
7656577
Name [?]:
None
SMILES [?]:
Cc1c(sc(n1)N2CCCC2=O)C(=O)O
InChi [?]:
InChI=1/C9H10N2O3S/c1-5-7(8(13)14)15-9(10-5)11-4-2-3-6(11)12/h2-4H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,9,10,8,2,11,3,13,5,6,7,12,14,15,4/E:(13,14)/rA:15nCCCSCNNCCCCOCOO/rB:s1;d2;s3;s4;s2d5;s5;s7;s8;s9;s7s10;d11;s3;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10N2O3S
All Atoms:25
Heavy Atoms:15
Chiral Atoms:None
ZAP Information [?]
Total:6.27632
Area:381.749
Solvation:-3.26741
Coulombic:-46.5824
Bond Count [?]
All:16
Single:12
Double:4
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:-0.28
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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