Chemical ID: 5584271

c1ccc2c(c1)cc(c(=NNC(=O)c3cccc(c3)F)o2)C(=O)N
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

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