Chemical ID: 7177293

CCC(CC)C(=O)Nc1ccc(cc1)C(=O)O
Chemical ID:
7177293
Name [?]:
4-(2-ethylbutanoylamino)benzoic acid
SMILES [?]:
CCC(CC)C(=O)Nc1ccc(cc1)C(=O)O
InChi [?]:
InChI=1/C13H17NO3/c1-3-9(4-2)12(15)14-11-7-5-10(6-8-11)13(16)17/h5-9H,3-4H2,1-2H3,(H,14,15)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,11,13,10,14,3,12,9,6,15,8,7,16,17/E:(1,2)(3,4)(5,6)(7,8)(16,17)/rA:17nCCCCCCONCCCCCCCOO/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;d10;s11;d12;d9s13;s12;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17NO3
All Atoms:34
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.36891
Area:434.332
Solvation:-2.48939
Coulombic:-48.6869
Bond Count [?]
All:17
Single:12
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:235.279
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.58
LogP (Chemaxon):2.87

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