Chemical ID: 5130208

Cc1nc2cc(ccc2o1)Cc3ccccc3
Chemical ID:
5130208
Name [?]:
5-benzyl-2-methyl-benzooxazole
SMILES [?]:
Cc1nc2cc(ccc2o1)Cc3ccccc3
InChi [?]:
InChI=1/C15H13NO/c1-11-16-14-10-13(7-8-15(14)17-11)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,13,17,7,8,11,5,2,12,6,4,9,3,10/E:(3,4)(5,6)/rA:17nCCNCCCCCCOCCCCCCC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s6;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:8.49517
Area:409.976
Solvation:-1.75423
Coulombic:-15.5476
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):4.09

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue