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Chemical ID: 4386152
Chemical ID:
4386152
Name [?]:
5-[4-chloro-3-[(3-chloro-4-methyl-phenyl)carbamoyl]phenyl]amino-5-oxo-pentanoic acid
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)c2cc(ccc2Cl)NC(=O)CCCC(=O)O
InChi [?]:
InChI=1/C19H18Cl2N2O4/c1-11-5-6-13(10-16(11)21)23-19(27)14-9-12(7-8-15(14)20)22-17(24)3-2-4-18(25)26/h5-10H,2-4H2,1H3,(H,22,24)(H,23,27)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,3,4,15,16,13,6,2,14,5,12,17,7,20,25,10,18,8,19,9,21,26,27,11/E:(25,26)/rA:27nCCCCCCCClNCOCCCCCCClNCOCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s14;s19;d20;s20;s22;s23;s24;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18Cl2N2O4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8936 |
Area: | 635.718 |
Solvation: | -4.99937 |
Coulombic: | -65.8671 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 409.263 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 3.45 |
LogP (Chemaxon): | 4.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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