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Chemical ID: 4289968
Chemical ID:
4289968
Name [?]:
N-(5-bromo-2-oxo-indolin-3-ylidene)amino-4-nitro-benzamide
SMILES [?]:
c1cc(ccc1C(=O)NN=C2c3cc(ccc3NC2=O)Br)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H9BrN4O4/c16-9-3-6-12-11(7-9)13(15(22)17-12)18-19-14(21)8-1-4-10(5-2-8)20(23)24/h1-7H,(H,19,21)(H,17,18,22)
InChi Info:
AuxInfo=1/1/N:1,5,15,2,4,16,13,6,14,3,12,17,11,7,19,21,18,10,9,22,8,20,23,24/E:(1,2)(4,5)(23,24)/CRV:20.5/rA:24nCCCCCCCONNCCCCCCCNCOBrN+OO-/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;w10;s11;s12;d13;s14;d15;d12s16;s17;s11s18;d19;s14;s3;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H9BrN4O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.22228 |
Area: | 530.146 |
Solvation: | -10.0314 |
Coulombic: | -51.417 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 389.161 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 3.43 |
LogP (Chemaxon): | 3.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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