Chemical ID: 6700733

c1ccc(c(c1)C(=O)[O-])NC(=O)CCC(=O)[O-]
Chemical ID:
6700733
Name [?]:
2-(3-carboxylatopropanoylamino)benzoate
SMILES [?]:
c1ccc(c(c1)C(=O)[O-])NC(=O)CCC(=O)[O-]
InChi [?]:
InChI=1/C11H11NO5/c13-9(5-6-10(14)15)12-8-4-2-1-3-7(8)11(16)17/h1-4H,5-6H2,(H,12,13)(H,14,15)(H,16,17)/p-2
InChi Info:
AuxInfo=1/1/N:1,2,6,3,13,14,5,4,11,15,7,10,12,16,17,8,9/E:(14,15)(16,17)/rA:17nCCCCCCCOO-NCOCCCOO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;d11;s11;s13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H9NO5-2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-93.2372
Area:414.06
Solvation:-103.589
Coulombic:-0.336696
Bond Count [?]
All:17
Single:11
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:235.193
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:-0.06
LogP (Chemaxon):1.33

Name Annotations

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Descriptor Annotations

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