Chemical ID: 4726407

c1cc(ccc1c2c(n3c4c(sc3n2)CCCC4)CO)F
Chemical ID:
4726407
Name [?]:
None
SMILES [?]:
c1cc(ccc1c2c(n3c4c(sc3n2)CCCC4)CO)F
InChi [?]:
InChI=1/C16H15FN2OS/c17-11-7-5-10(6-8-11)15-13(9-20)19-12-3-1-2-4-14(12)21-16(19)18-15/h5-8,20H,1-4,9H2
InChi Info:
AuxInfo=1/0/N:17,16,18,15,1,5,2,4,19,6,3,10,8,11,7,13,21,14,9,20,12/E:(5,6)(7,8)/rA:21nCCCCCCCCNCCSCNCCCCCOF/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;d10;s11;s9s12;s7d13;s11;s15;s16;s10s17;s8;s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15FN2OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.08514
Area:456.598
Solvation:-3.32981
Coulombic:-33.5081
Bond Count [?]
All:24
Single:18
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:302.368
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.87
LogP (Chemaxon):2.89

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