Chemical ID: 4610165

c1ccc(c(c1)C(=O)NCC(=O)NN=Cc2ccc(cc2O)O)F
Chemical ID:
4610165
Name [?]:
N-[(2,4-dihydroxyphenyl)methyleneaminocarbamoylmethyl]-2-fluoro-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)NCC(=O)NN=Cc2ccc(cc2O)O)F
InChi [?]:
InChI=1/C16H14FN3O4/c17-13-4-2-1-3-12(13)16(24)18-9-15(23)20-19-8-10-5-6-11(21)7-14(10)22/h1-8,21-22H,9H2,(H,18,24)(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,17,18,20,15,10,16,19,5,4,21,11,7,24,9,14,13,23,22,12,8/rA:24nCCCCCCCONCCONNCCCCCCCOOF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14FN3O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:6.48879
Area:538.443
Solvation:-6.97228
Coulombic:-74.4264
Bond Count [?]
All:25
Single:16
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:331.299
H-Bond Donors:4
H-Bond Acceptors:7
XLogP:2.52
LogP (Chemaxon):1.74

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