Chemical ID: 5871654

c1ccc2c(c1)nc(o2)c3cc(ccc3F)N
Chemical ID:
5871654
Name [?]:
3-benzooxazol-2-yl-4-fluoro-aniline
SMILES [?]:
c1ccc2c(c1)nc(o2)c3cc(ccc3F)N
InChi [?]:
InChI=1/C13H9FN2O/c14-10-6-5-8(15)7-9(10)13-16-11-3-1-2-4-12(11)17-13/h1-7H,15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,13,14,11,12,10,15,5,4,8,16,17,7,9/rA:17nCCCCCCNCOCCCCCCFN/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;d11;s12;d13;d10s14;s15;s12;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9FN2O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.22209
Area:389.225
Solvation:-2.50853
Coulombic:-35.3755
Bond Count [?]
All:19
Single:12
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:228.222
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:2.5
LogP (Chemaxon):3.37

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Descriptor Annotations

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