Chemical ID: 4692980

c1ccc2c(c1)CCCC(=O)N2Cc3cccc(c3)F
Chemical ID:
4692980
Name [?]:
2-[(3-fluorophenyl)methyl]-2-azabicyclo[5.4.0]undeca-8,10,12-trien-3-one
SMILES [?]:
c1ccc2c(c1)CCCC(=O)N2Cc3cccc(c3)F
InChi [?]:
InChI=1/C17H16FNO/c18-15-8-3-5-13(11-15)12-19-16-9-2-1-6-14(16)7-4-10-17(19)20/h1-3,5-6,8-9,11H,4,7,10,12H2
InChi Info:
AuxInfo=1/0/N:1,2,16,8,15,6,7,17,3,9,19,13,14,5,18,4,10,20,12,11/rA:20nCCCCCCCCCCONCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s4s10;s12;s13;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16FNO
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.03597
Area:427.193
Solvation:-2.64386
Coulombic:-21.3512
Bond Count [?]
All:22
Single:15
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:269.313
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.32
LogP (Chemaxon):3.65

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