Chemical ID: 6725503

c1cc(ccc1C(=O)[O-])NC(=O)CCC(=O)[O-]
Chemical ID:
6725503
Name [?]:
4-(3-carboxylatopropanoylamino)benzoate
SMILES [?]:
c1cc(ccc1C(=O)[O-])NC(=O)CCC(=O)[O-]
InChi [?]:
InChI=1/C11H11NO5/c13-9(5-6-10(14)15)12-8-3-1-7(2-4-8)11(16)17/h1-4H,5-6H2,(H,12,13)(H,14,15)(H,16,17)/p-2
InChi Info:
AuxInfo=1/1/N:1,5,2,4,13,14,6,3,11,15,7,10,12,16,17,8,9/E:(1,2)(3,4)(14,15)(16,17)/rA:17nCCCCCCCOO-NCOCCCOO-/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;s10;d11;s11;s13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H9NO5-2
All Atoms:26
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-88.9218
Area:425.24
Solvation:-99.5528
Coulombic:-4.59716
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:-0.7
LogP (Chemaxon):0.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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