Chemical ID: 5573076

c1cc2c(cc1Br)NC(=C3C(=O)c4ccc(cc4N3)Br)C2=O
Chemical ID:
5573076
Name [?]:
6-bromo-2-(6-bromo-3-oxo-indolin-2-ylidene)-indolin-3-one
SMILES [?]:
c1cc2c(cc1Br)NC(=C3C(=O)c4ccc(cc4N3)Br)C2=O
InChi [?]:
InChI=1/C16H8Br2N2O2/c17-7-1-3-9-11(5-7)19-13(15(9)21)14-16(22)10-4-2-8(18)6-12(10)20-14/h1-6,19-20H
InChi Info:
AuxInfo=1/0/N:1,15,2,14,5,17,6,16,3,13,4,18,9,10,21,11,7,20,8,19,22,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/rA:22nCCCCCCBrNCCCOCCCCCCNBrCO/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s10s18;s16;s3s9;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H8Br2N2O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.4307
Area:498.573
Solvation:-2.03365
Coulombic:-42.2412
Bond Count [?]
All:25
Single:16
Double:9
Rotors:0
Chiral:1
Rigid Segments:1
Chemical Properties
Molecular Weight:420.055
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.85
LogP (Chemaxon):4.94

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