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Chemical ID: 4273100
Chemical ID:
4273100
Name [?]:
4-chloro-N-(5,7-dibromo-2-oxo-indolin-3-ylidene)amino-benzamide
SMILES [?]:
c1cc(ccc1C(=O)NN=C2c3cc(cc(c3NC2=O)Br)Br)Cl
InChi [?]:
InChI=1/C15H8Br2ClN3O2/c16-8-5-10-12(11(17)6-8)19-15(23)13(10)20-21-14(22)7-1-3-9(18)4-2-7/h1-6H,(H,21,22)(H,19,20,23)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,13,15,6,14,3,12,16,17,11,7,19,22,21,23,18,10,9,8,20/E:(1,2)(3,4)/rA:23nCCCCCCCONNCCCCCCCNCOBrBrCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;w10;s11;s12;d13;s14;d15;d12s16;s17;s11s18;d19;s16;s14;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H8Br2ClN3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.62327 |
Area: | 543.552 |
Solvation: | -3.96553 |
Coulombic: | -41.5803 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 457.504 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.08 |
LogP (Chemaxon): | 4.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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