Chemical ID: 5587731

CN1c2ccc(cc2C(=NNC(=O)c3ccccc3Br)C1=O)Br
Chemical ID:
5587731
Name [?]:
2-bromo-N-(5-bromo-1-methyl-2-oxo-indolin-3-ylidene)amino-benzamide
SMILES [?]:
CN1c2ccc(cc2C(=NNC(=O)c3ccccc3Br)C1=O)Br
InChi [?]:
InChI=1/C16H11Br2N3O2/c1-21-13-7-6-9(17)8-11(13)14(16(21)23)19-20-15(22)10-4-2-3-5-12(10)18/h2-8H,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,16,17,15,18,5,4,7,6,14,8,19,3,9,12,21,23,20,10,11,2,13,22/rA:23nCNCCCCCCCNNCOCCCCCCBrCOBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s2s9;d21;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11Br2N3O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.86219
Area:518.666
Solvation:-4.10446
Coulombic:-37.1419
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:437.086
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.6
LogP (Chemaxon):3.99

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