Chemical ID: 6457387

c1ccc2c(c1)CN(C2=O)c3ccc(cc3)F
Chemical ID:
6457387
Name [?]:
2-(4-fluorophenyl)isoindolin-1-one
SMILES [?]:
c1ccc2c(c1)CN(C2=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C14H10FNO/c15-11-5-7-12(8-6-11)16-9-10-3-1-2-4-13(10)14(16)17/h1-8H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,13,15,12,16,7,5,14,11,4,9,17,8,10/E:(5,6)(7,8)/rA:17nCCCCCCCNCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;d9;s8;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10FNO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.16951
Area:385.179
Solvation:-2.45997
Coulombic:-22.3304
Bond Count [?]
All:19
Single:12
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:227.234
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.98
LogP (Chemaxon):2.74

Name Annotations

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Descriptor Annotations

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