Chemical ID: 7245512

c1c(c(cc2c1OCCCO2)N)C(=O)O
Chemical ID:
7245512
Name [?]:
10-amino-2,6-dioxabicyclo[5.4.0]undeca-7,9,11-triene-9-carboxylic acid
SMILES [?]:
c1c(c(cc2c1OCCCO2)N)C(=O)O
InChi [?]:
InChI=1/C10H11NO4/c11-7-5-9-8(4-6(7)10(12)13)14-2-1-3-15-9/h4-5H,1-3,11H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:9,8,10,1,4,2,3,6,5,13,12,14,15,7,11/E:(12,13)/rA:15nCCCCCCOCCCONCOO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s5s10;s3;s2;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11NO4
All Atoms:26
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:4.90887
Area:356.083
Solvation:-3.9932
Coulombic:-57.7977
Bond Count [?]
All:16
Single:12
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:209.199
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:1.44
LogP (Chemaxon):0.8

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Descriptor Annotations

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