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Chemical ID: 7294543
Chemical ID:
7294543
Name [?]:
N-(3-fluorophenyl)-4-oxo-3-pentyl-phthalazine-1-carboxamide
SMILES [?]:
CCCCCn1c(=O)c2ccccc2c(n1)C(=O)Nc3cccc(c3)F
InChi [?]:
InChI=1/C20H20FN3O2/c1-2-3-6-12-24-20(26)17-11-5-4-10-16(17)18(23-24)19(25)22-15-9-7-8-14(21)13-15/h4-5,7-11,13H,2-3,6,12H2,1H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,2,3,12,11,4,22,23,21,13,10,5,25,24,20,14,9,15,17,7,26,19,16,6,18,8/rA:26nCCCCCNCOCCCCCCCNCONCCCCCCF/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s14;s6d15;s15;d17;s17;s19;s20;d21;s22;d23;d20s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20FN3O2 |
All Atoms: | 46 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4735 |
Area: | 570.179 |
Solvation: | -2.78101 |
Coulombic: | -44.5874 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 353.39 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.84 |
LogP (Chemaxon): | 4.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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