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Chemical ID: 5584275
Chemical ID:
5584275
Name [?]:
6-chloro-2-(3-fluorobenzoyl)aminoimino-chromene-3-carboxamide
SMILES [?]:
c1cc(cc(c1)F)C(=O)NN=c2c(cc3cc(ccc3o2)Cl)C(=O)N
InChi [?]:
InChI=1/C17H11ClFN3O3/c18-11-4-5-14-10(6-11)8-13(15(20)23)17(25-14)22-21-16(24)9-2-1-3-12(19)7-9/h1-8H,(H2,20,23)(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,19,16,4,14,3,15,17,5,13,20,23,8,12,22,7,25,10,11,24,9,21/rA:25nCCCCCCFCONNCCCCCCCCCOClCON/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;w11;s12;d13;s14;s15;d16;s17;d18;d15s19;s12s20;s17;s13;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H11ClFN3O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.56776 |
Area: | 527.084 |
Solvation: | -4.60934 |
Coulombic: | -58.5094 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 359.739 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 3.64 |
LogP (Chemaxon): | 2.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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