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Chemical ID: 4149746
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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