Chemical ID: 6441122

Cc1ccc(cc1)c2nc3ccc(cc3o2)C
Chemical ID:
6441122
Name [?]:
6-methyl-2-(p-tolyl)benzooxazole
SMILES [?]:
Cc1ccc(cc1)c2nc3ccc(cc3o2)C
InChi [?]:
InChI=1/C15H13NO/c1-10-3-6-12(7-4-10)15-16-13-8-5-11(2)9-14(13)17-15/h3-9H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,3,7,12,4,6,11,14,2,13,5,10,15,8,9,16/E:(3,4)(6,7)/rA:17nCCCCCCCCNCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;d11;s12;d13;d10s14;s8s15;s13;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13NO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.98068
Area:409.947
Solvation:-1.26798
Coulombic:-17.1088
Bond Count [?]
All:19
Single:12
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:223.27
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.03
LogP (Chemaxon):4.95

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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