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Chemical ID: 4646778
Chemical ID:
4646778
Name [?]:
3-chloro-N-(5,7-dibromo-2-oxo-indolin-3-ylidene)amino-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1Cl)C(=O)NN=C2c3cc(cc(c3NC2=O)Br)Br
InChi [?]:
InChI=1/C16H10Br2ClN3O2/c1-7-2-3-8(4-12(7)19)15(23)22-21-14-10-5-9(17)6-11(18)13(10)20-16(14)24/h2-6H,1H3,(H,22,23)(H,20,21,24)
InChi Info:
AuxInfo=1/1/N:1,3,4,6,15,17,2,5,16,14,18,7,19,13,9,21,24,23,8,20,12,11,10,22/rA:24nCCCCCCCClCONNCCCCCCCNCOBrBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s19;s13s20;d21;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10Br2ClN3O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.71515 |
Area: | 543.631 |
Solvation: | -3.87563 |
Coulombic: | -41.4451 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 471.53 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.31 |
LogP (Chemaxon): | 4.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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