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Chemical ID: 5584271
Chemical ID:
5584271
Name [?]:
2-(3-fluorobenzoyl)aminoiminochromene-3-carboxamide
SMILES [?]:
c1ccc2c(c1)cc(c(=NNC(=O)c3cccc(c3)F)o2)C(=O)N
InChi [?]:
InChI=1/C17H12FN3O3/c18-12-6-3-5-11(8-12)16(23)20-21-17-13(15(19)22)9-10-4-1-2-7-14(10)24-17/h1-9H,(H2,19,22)(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,2,16,6,15,17,3,19,7,5,14,18,8,4,22,12,9,20,24,11,10,23,13,21/rA:24nCCCCCCCCCNNCOCCCCCCFOCON/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;w9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s4s9;s8;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H12FN3O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.73806 |
Area: | 490.769 |
Solvation: | -4.53115 |
Coulombic: | -58.7767 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 325.294 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 3.02 |
LogP (Chemaxon): | 2.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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