Chemical ID: 4796739

Cc1c(sc2c1c(=O)n(c(n2)C)O)C
Chemical ID:
4796739
Name [?]:
4-hydroxy-3,7,8-trimethyl-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-5-one
SMILES [?]:
Cc1c(sc2c1c(=O)n(c(n2)C)O)C
InChi [?]:
InChI=1/C9H10N2O2S/c1-4-5(2)14-8-7(4)9(12)11(13)6(3)10-8/h13H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,14,12,2,3,10,6,5,7,11,9,8,13,4/rA:14nCCCSCCCONCNCOC/rB:s1;d2;s3;s4;s2d5;s6;d7;s7;s9;s5d10;s10;s9;s3;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10N2O2S
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.37764
Area:356.573
Solvation:-1.53669
Coulombic:-31.086
Bond Count [?]
All:15
Single:11
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:210.254
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.16
LogP (Chemaxon):0.72

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Descriptor Annotations

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