Chemical ID: 4814210

C=CCN1c2ccc(cc2C(=NNC(=O)c3cccnc3)C1=O)Br
Chemical ID:
4814210
Name [?]:
N-(1-allyl-5-bromo-2-oxo-indolin-3-ylidene)aminopyridine-3-carboxamide
SMILES [?]:
C=CCN1c2ccc(cc2C(=NNC(=O)c3cccnc3)C1=O)Br
InChi [?]:
InChI=1/C17H13BrN4O2/c1-2-8-22-14-6-5-12(18)9-13(14)15(17(22)24)20-21-16(23)11-4-3-7-19-10-11/h2-7,9-10H,1,8H2,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,18,17,7,6,19,3,9,21,16,8,10,5,11,14,22,24,20,12,13,4,15,23/rA:24nCCCNCCCCCCCNNCOCCCCNCCOBr/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s4s11;d22;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13BrN4O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.01248
Area:535.339
Solvation:-4.37099
Coulombic:-42.252
Bond Count [?]
All:26
Single:16
Double:10
Rotors:5
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:385.215
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.16
LogP (Chemaxon):2.62

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue