Chemical ID: 5742321

Cc1c(cccc1N(=O)=O)C(=O)NN=C2c3cc(ccc3NC2=O)Br
Chemical ID:
5742321
Name [?]:
N-(5-bromo-2-oxo-indolin-3-ylidene)amino-2-methyl-3-nitro-benzamide
SMILES [?]:
Cc1c(cccc1N(=O)=O)C(=O)NN=C2c3cc(ccc3NC2=O)Br
InChi [?]:
InChI=1/C16H11BrN4O4/c1-8-10(3-2-4-13(8)21(24)25)15(22)20-19-14-11-7-9(17)5-6-12(11)18-16(14)23/h2-7H,1H3,(H,20,22)(H,18,19,23)
InChi Info:
AuxInfo=1/1/N:1,5,4,6,19,20,17,2,18,3,16,21,7,15,11,23,25,22,14,13,8,12,24,9,10/E:(24,25)/CRV:21.5/rA:25nCCCCCCCNOOCONNCCCCCCCNCOBr/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s3;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;s15s22;d23;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11BrN4O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:3.65109
Area:530.117
Solvation:-9.60185
Coulombic:-51.714
Bond Count [?]
All:27
Single:16
Double:11
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:403.187
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:3.78
LogP (Chemaxon):3.85

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