Chemical ID: 4115021

c1cc(c(cc1O)F)C#N
Chemical ID:
4115021
Name [?]:
2-fluoro-4-hydroxy-benzonitrile
SMILES [?]:
c1cc(c(cc1O)F)C#N
InChi [?]:
InChI=1/C7H4FNO/c8-7-3-6(10)2-1-5(7)4-9/h1-3,10H
InChi Info:
AuxInfo=1/0/N:2,1,5,9,3,6,4,8,10,7/rA:10nCCCCCCOFCN/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;t9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H4FNO
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:4.28616
Area:284.268
Solvation:-2.82055
Coulombic:-22.2315
Bond Count [?]
All:10
Single:6
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:137.111
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.5
LogP (Chemaxon):1.72

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