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Chemical ID: 4273165
Chemical ID:
4273165
Name [?]:
2-bromo-N-(1,5-dimethyl-2-oxo-indolin-3-ylidene)amino-benzamide
SMILES [?]:
Cc1ccc2c(c1)C(=NNC(=O)c3ccccc3Br)C(=O)N2C
InChi [?]:
InChI=1/C17H14BrN3O2/c1-10-7-8-14-12(9-10)15(17(23)21(14)2)19-20-16(22)11-5-3-4-6-13(11)18/h3-9H,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,23,15,16,14,17,3,4,7,2,13,6,18,5,8,11,20,19,9,10,22,12,21/rA:23nCCCCCCCCNNCOCCCCCCBrCONC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s8;d20;s5s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14BrN3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.64283 |
Area: | 507.75 |
Solvation: | -4.05092 |
Coulombic: | -37.4784 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 372.216 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.24 |
LogP (Chemaxon): | 3.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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