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Chemical ID: 7529879
Chemical ID:
7529879
Name [?]:
2-[(2,4-dichlorophenyl)carbamoylamino]-3-methyl-butanoic acid
SMILES [?]:
CC(C)C(C(=O)O)NC(=O)Nc1ccc(cc1Cl)Cl
InChi [?]:
InChI=1/C12H14Cl2N2O3/c1-6(2)10(11(17)18)16-12(19)15-9-4-3-7(13)5-8(9)14/h3-6,10H,1-2H3,(H,17,18)(H2,15,16,19)
InChi Info:
AuxInfo=1/1/N:1,3,14,13,16,2,15,17,12,4,5,9,19,18,11,8,6,7,10/E:(1,2)(17,18)/rA:19cCCCCCOONCONCCCCCCClCl/rB:s1;s2;s2;s4;d5;s5;s4;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14Cl2N2O3 |
All Atoms: | 33 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.1016 |
Area: | 489.597 |
Solvation: | -2.13832 |
Coulombic: | -63.4081 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.72 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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