Chemical ID: 4696453

CC1(C(=O)Nc2c(cccn2)O1)C(=O)O
Chemical ID:
4696453
Name [?]:
8-methyl-9-oxo-7-oxa-2,10-diazabicyclo[4.4.0]deca-1,3,5-triene-8-carboxylic acid
SMILES [?]:
CC1(C(=O)Nc2c(cccn2)O1)C(=O)O
InChi [?]:
InChI=1/C9H8N2O4/c1-9(8(13)14)7(12)11-6-5(15-9)3-2-4-10-6/h2-4H,1H3,(H,13,14)(H,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,9,8,10,7,6,3,13,2,11,5,4,14,15,12/E:(13,14)/rA:15cCCCONCCCCCNOCOO/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s2s7;s2;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8N2O4
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:5.21279
Area:345.294
Solvation:-3.41956
Coulombic:-62.3143
Bond Count [?]
All:16
Single:11
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:208.171
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:-0.11
LogP (Chemaxon):-0.71

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