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Chemical ID: 7417748
Chemical ID:
7417748
Name [?]:
2-(2-fluorophenyl)-9-phenyl-5,7,8-triazabicyclo[4.3.0]nona-8,10-dien-4-one
SMILES [?]:
c1ccc(cc1)c2c3c([nH]n2)NC(=O)CC3c4ccccc4F
InChi [?]:
InChI=1/C18H14FN3O/c19-14-9-5-4-8-12(14)13-10-15(23)20-18-16(13)17(21-22-18)11-6-2-1-3-7-11/h1-9,13H,10H2,(H2,20,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,19,20,3,5,18,21,15,4,17,16,22,13,8,7,9,23,12,11,10,14/E:(2,3)(6,7)/rA:23cCCCCCCCCCNNNCOCCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s9;s12;d13;s13;s8s15;s16;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14FN3O |
All Atoms: | 37 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.52033 |
Area: | 434.57 |
Solvation: | -3.34391 |
Coulombic: | -35.2418 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.64 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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