Chemical ID: 4149746

CCCC(=O)Nc1cc(c(cc1Cl)C(=O)OC)OC
Chemical ID:
4149746
Name [?]:
methyl 4-butanoylamino-5-chloro-2-methoxy-benzoate
SMILES [?]:
CCCC(=O)Nc1cc(c(cc1Cl)C(=O)OC)OC
InChi [?]:
InChI=1/C13H16ClNO4/c1-4-5-12(16)15-10-7-11(18-2)8(6-9(10)14)13(17)19-3/h6-7H,4-5H2,1-3H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,19,17,2,3,11,8,10,12,7,9,4,14,13,6,5,15,18,16/rA:19nCCCCONCCCCCCClCOOCOC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s10;d14;s14;s16;s9;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16ClNO4
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.02808
Area:481.085
Solvation:-3.99904
Coulombic:-45.8883
Bond Count [?]
All:19
Single:14
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:285.723
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.57
LogP (Chemaxon):1.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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