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Chemical ID: 4814210
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
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Experimental Annotations
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Descriptor Annotations
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