Chemical ID: 7417748

c1ccc(cc1)c2c3c([nH]n2)NC(=O)CC3c4ccccc4F
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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