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Chemical ID: 6147010
Chemical ID:
6147010
Name [?]:
(3-chloro-2-methyl-phenyl)carbamoylmethyl 3-(4-methoxyphenyl)prop-2-enoate
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)COC(=O)C=Cc2ccc(cc2)OC
InChi [?]:
InChI=1/C19H18ClNO4/c1-13-16(20)4-3-5-17(13)21-18(22)12-25-19(23)11-8-14-6-9-15(24-2)10-7-14/h3-11H,12H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,5,6,4,19,23,17,20,22,16,12,2,18,21,7,3,10,14,8,9,11,15,24,13/E:(6,7)(9,10)/rA:25nCCCCCCCClNCOCOCOCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;s12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18ClNO4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.6979 |
Area: | 577.459 |
Solvation: | -4.73858 |
Coulombic: | -48.4093 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 359.803 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.73 |
LogP (Chemaxon): | 3.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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