Chemical ID: 6686016

Cc1nc2cc(ccc2o1)Cl
Chemical ID:
6686016
Name [?]:
5-chloro-2-methyl-benzooxazole
SMILES [?]:
Cc1nc2cc(ccc2o1)Cl
InChi [?]:
InChI=1/C8H6ClNO/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,8,5,2,6,4,9,11,3,10/rA:11nCCNCCCCCCOCl/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s6;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H6ClNO
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.58173
Area:315.759
Solvation:-1.31225
Coulombic:-13.6991
Bond Count [?]
All:12
Single:8
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:167.592
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.07
LogP (Chemaxon):2.52

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Descriptor Annotations

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