Chemical ID: 4418051

CCCCC(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O
Chemical ID:
4418051
Name [?]:
5-pentanoylaminobenzene-1,3-dicarboxylic acid
SMILES [?]:
CCCCC(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O
InChi [?]:
InChI=1/C13H15NO5/c1-2-3-4-11(15)14-10-6-8(12(16)17)5-9(7-10)13(18)19/h5-7H,2-4H2,1H3,(H,14,15)(H,16,17)(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,11,9,13,10,12,8,5,17,14,7,6,18,19,15,16/E:(6,7)(8,9)(12,13)(16,17,18,19)/gE:(2,3)/rA:19nCCCCCONCCCCCCCOOCOO/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s12;d14;s14;s10;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15NO5
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.34918
Area:476.857
Solvation:-3.57226
Coulombic:-73.9142
Bond Count [?]
All:19
Single:13
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:265.262
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:1.9
LogP (Chemaxon):1.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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