Chemical ID: 3994626

C1C2C=CC1C3C2C(=O)N(C3=O)CC(=O)O
Chemical ID:
3994626
Name [?]:
None
SMILES [?]:
C1C2C=CC1C3C2C(=O)N(C3=O)CC(=O)O
InChi [?]:
InChI=1/C11H11NO4/c13-7(14)4-12-10(15)8-5-1-2-6(3-5)9(8)11(12)16/h1-2,5-6,8-9H,3-4H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:3,4,1,13,2,5,14,7,6,8,11,10,15,16,9,12/E:(1,2)(5,6)(8,9)(10,11)(13,14)(15,16)/rA:16cCCCCCCCCONCOCCOO/rB:s1;s2;d3;s1s4;s5;s2s6;s7;d8;s8;s6s10;d11;s10;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11NO4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:4
ZAP Information [?]
Total:5.93482
Area:371.076
Solvation:-3.34209
Coulombic:-49.9128
Bond Count [?]
All:18
Single:14
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:221.209
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:-0.48
LogP (Chemaxon):-0.37

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Descriptor Annotations

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