Chemical ID: 4744032

c1ccc2c(c1)C(=Cc3ccc(cc3)F)C(=O)N2
Chemical ID:
4744032
Name [?]:
3-[(4-fluorophenyl)methylene]indolin-2-one
SMILES [?]:
c1ccc2c(c1)C(=Cc3ccc(cc3)F)C(=O)N2
InChi [?]:
InChI=1/C15H10FNO/c16-11-7-5-10(6-8-11)9-13-12-3-1-2-4-14(12)17-15(13)18/h1-9H,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,10,14,11,13,8,9,12,5,7,4,16,15,18,17/E:(5,6)(7,8)/rA:18nCCCCCCCCCCCCCCFCON/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s11;d12;d9s13;s12;s7;d16;s4s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10FNO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.33706
Area:393.476
Solvation:-2.49985
Coulombic:-27.2961
Bond Count [?]
All:20
Single:12
Double:8
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:239.244
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.26
LogP (Chemaxon):3.28

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue