Chemical ID: 5844667

c1cc2c(cc1C(=O)NN=C3c4cc(ccc4NC3=O)Br)OCO2
Chemical ID:
5844667
Name [?]:
N-(5-bromo-2-oxo-indolin-3-ylidene)aminobenzo[1,3]dioxole-5-carboxamide
SMILES [?]:
c1cc2c(cc1C(=O)NN=C3c4cc(ccc4NC3=O)Br)OCO2
InChi [?]:
InChI=1/C16H10BrN3O4/c17-9-2-3-11-10(6-9)14(16(22)18-11)19-20-15(21)8-1-4-12-13(5-8)24-7-23-12/h1-6H,7H2,(H,20,21)(H,18,19,22)
InChi Info:
AuxInfo=1/1/N:1,15,16,2,5,13,23,6,14,12,17,3,4,11,7,19,21,18,10,9,8,20,24,22/rA:24nCCCCCCCONNCCCCCCCNCOBrOCO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;w10;s11;s12;d13;s14;d15;d12s16;s17;s11s18;d19;s14;s4;s22;s3s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10BrN3O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.37806
Area:519.253
Solvation:-5.60325
Coulombic:-56.2421
Bond Count [?]
All:27
Single:18
Double:9
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:388.172
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.42
LogP (Chemaxon):3.11

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