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Chemical ID: 6656611
Chemical ID:
6656611
Name [?]:
4-fluoro-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-benzamide
SMILES [?]:
c1cc(ccc1C2=NNC(=O)CC2)NC(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C17H14FN3O2/c18-13-5-1-12(2-6-13)17(23)19-14-7-3-11(4-8-14)15-9-10-16(22)21-20-15/h1-8H,9-10H2,(H,19,23)(H,21,22)
InChi Info:
AuxInfo=1/1/N:18,22,1,5,19,21,2,4,13,12,6,17,20,3,7,10,15,23,14,8,9,11,16/E:(1,2)(3,4)(5,6)(7,8)/rA:23nCCCCCCCNNCOCCNCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;d10;s10;s7s12;s3;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14FN3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.32911 |
Area: | 505.136 |
Solvation: | -4.29929 |
Coulombic: | -43.3841 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 311.31 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.0 |
LogP (Chemaxon): | 2.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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