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Chemical ID: 6433641
Chemical ID:
6433641
Name [?]:
3-(4-bromophenyl)imino-1-methyl-indolin-2-one
SMILES [?]:
CN1c2ccccc2C(=Nc3ccc(cc3)Br)C1=O
InChi [?]:
InChI=1/C15H11BrN2O/c1-18-13-5-3-2-4-12(13)14(15(18)19)17-11-8-6-10(16)7-9-11/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,13,15,12,16,14,11,8,3,9,18,17,10,2,19/E:(6,7)(8,9)/rA:19nCNCCCCCCCNCCCCCCBrCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;s11;d12;s13;d14;d11s15;s14;s2s9;d18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11BrN2O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.87092 |
Area: | 435.847 |
Solvation: | -2.02525 |
Coulombic: | -25.0655 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 1 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 315.165 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.18 |
LogP (Chemaxon): | 4.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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