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Chemical ID: 4610165
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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