Chemical ID: 4273100

c1cc(ccc1C(=O)NN=C2c3cc(cc(c3NC2=O)Br)Br)Cl
Chemical ID:
4273100
Name [?]:
4-chloro-N-(5,7-dibromo-2-oxo-indolin-3-ylidene)amino-benzamide
SMILES [?]:
c1cc(ccc1C(=O)NN=C2c3cc(cc(c3NC2=O)Br)Br)Cl
InChi [?]:
InChI=1/C15H8Br2ClN3O2/c16-8-5-10-12(11(17)6-8)19-15(23)13(10)20-21-14(22)7-1-3-9(18)4-2-7/h1-6H,(H,21,22)(H,19,20,23)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,13,15,6,14,3,12,16,17,11,7,19,22,21,23,18,10,9,8,20/E:(1,2)(3,4)/rA:23nCCCCCCCONNCCCCCCCNCOBrBrCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;w10;s11;s12;d13;s14;d15;d12s16;s17;s11s18;d19;s16;s14;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H8Br2ClN3O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.62327
Area:543.552
Solvation:-3.96553
Coulombic:-41.5803
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:457.504
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.08
LogP (Chemaxon):4.09

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