Chemical ID: 6320485

Cc1ccc2c(c1)oc(n2)Cc3ccccc3
Chemical ID:
6320485
Name [?]:
2-benzyl-6-methyl-benzooxazole
SMILES [?]:
Cc1ccc2c(c1)oc(n2)Cc3ccccc3
InChi [?]:
InChI=1/C15H13NO/c1-11-7-8-13-14(9-11)17-15(16-13)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,13,17,3,4,7,11,2,12,5,6,9,10,8/E:(3,4)(5,6)/rA:17nCCCCCCCOCNCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5d9;s9;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13NO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.63665
Area:410.555
Solvation:-1.62722
Coulombic:-16.0823
Bond Count [?]
All:19
Single:12
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:223.27
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.41
LogP (Chemaxon):4.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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