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Chemical ID: 4550879
Chemical ID:
4550879
Name [?]:
1-[(4-bromophenyl)methyl]indoline-2,3-dione
SMILES [?]:
c1ccc2c(c1)C(=O)C(=O)N2Cc3ccc(cc3)Br
InChi [?]:
InChI=1/C15H10BrNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,14,18,15,17,12,13,16,5,4,7,9,19,11,8,10/E:(5,6)(7,8)/rA:19nCCCCCCCOCONCCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s4s9;s11;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10BrNO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.64413 |
Area: | 439.627 |
Solvation: | -2.34654 |
Coulombic: | -29.3802 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 316.149 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.24 |
LogP (Chemaxon): | 3.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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