Chemical ID: 7435966

COc1ccc2c(c1)N(C(=O)CO2)O
Chemical ID:
7435966
Name [?]:
5-hydroxy-8-methoxy-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-4-one
SMILES [?]:
COc1ccc2c(c1)N(C(=O)CO2)O
InChi [?]:
InChI=1/C9H9NO4/c1-13-6-2-3-8-7(4-6)10(12)9(11)5-14-8/h2-4,12H,5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,8,12,3,7,6,10,9,11,14,2,13/rA:14nCOCCCCCCNCOCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s6s12;s9;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9NO4
All Atoms:23
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:4.551
Area:343.838
Solvation:-4.04495
Coulombic:-39.8325
Bond Count [?]
All:15
Single:11
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:195.172
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.45
LogP (Chemaxon):-0.11

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Descriptor Annotations

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