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Chemical ID: 6430854
Chemical ID:
6430854
Name [?]:
methyl 2-(4-chlorobenzoyl)amino-3-(p-tolyl)prop-2-enoate
SMILES [?]:
Cc1ccc(cc1)C=C(C(=O)OC)NC(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C18H16ClNO3/c1-12-3-5-13(6-4-12)11-16(18(22)23-2)20-17(21)14-7-9-15(19)10-8-14/h3-11H,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,13,3,7,4,6,18,22,19,21,8,2,5,17,20,9,15,10,23,14,16,11,12/E:(3,4)(5,6)(7,8)(9,10)/rA:23nCCCCCCCCCCOOCNCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;s9;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16ClNO3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.91605 |
Area: | 532.565 |
Solvation: | -3.39807 |
Coulombic: | -43.6335 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 329.777 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.59 |
LogP (Chemaxon): | 3.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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