Chemical ID: 7528304

c1ccc(c(c1)COc2cccc(c2)C#N)F
Chemical ID:
7528304
Name [?]:
3-[(2-fluorophenyl)methoxy]benzonitrile
SMILES [?]:
c1ccc(c(c1)COc2cccc(c2)C#N)F
InChi [?]:
InChI=1/C14H10FNO/c15-14-7-2-1-5-12(14)10-17-13-6-3-4-11(8-13)9-16/h1-8H,10H2
InChi Info:
AuxInfo=1/0/N:1,2,11,12,6,10,3,14,15,7,13,5,9,4,17,16,8/rA:17nCCCCCCCOCCCCCCCNF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s13;t15;s4;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10FNO
All Atoms:27
Heavy Atoms:17
Chiral Atoms:None
ZAP Information [?]
Total:7.81102
Area:418.458
Solvation:-2.65042
Coulombic:-17.208
Bond Count [?]
All:18
Single:11
Double:6
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.53
LogP (Chemaxon):None

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