Chemical ID: 7245263

Cc1c2c(oc(c2c(=O)n(n1)CC(=O)O)n3cccc3)C
Chemical ID:
7245263
Name [?]:
2-(2,9-dimethyl-5-oxo-7-pyrrol-1-yl-8-oxa-3,4-diazabicyclo[4.3.0]nona-2,6,9-trien-4-yl)acetic acid
SMILES [?]:
Cc1c2c(oc(c2c(=O)n(n1)CC(=O)O)n3cccc3)C
InChi [?]:
InChI=1/C14H13N3O4/c1-8-11-9(2)21-14(16-5-3-4-6-16)12(11)13(20)17(15-8)7-10(18)19/h3-6H,7H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,21,18,19,17,20,12,2,4,13,3,7,8,6,11,16,10,14,15,9,5/E:(3,4)(5,6)(18,19)/rA:21nCCCCOCCCONNCCOONCCCCC/rB:s1;s2;d3;s4;s5;s3d6;s7;d8;s8;d2s10;s10;s12;d13;s13;s6;s16;d17;s18;s16d19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13N3O4
All Atoms:34
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.39829
Area:458.343
Solvation:-4.06029
Coulombic:-52.9932
Bond Count [?]
All:23
Single:16
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:287.271
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.31
LogP (Chemaxon):0.33

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