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Chemical ID: 6441122
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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