Chemical ID: 4722106

CC(c1ccno1)Oc2ccccc2
Chemical ID:
4722106
Name [?]:
5-(1-phenoxyethyl)isoxazole
SMILES [?]:
CC(c1ccno1)Oc2ccccc2
InChi [?]:
InChI=1/C11H11NO2/c1-9(11-7-8-12-14-11)13-10-5-3-2-4-6-10/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,10,14,4,5,2,9,3,6,8,7/E:(3,4)(5,6)/rA:14cCCCCCNOOCCCCCC/rB:s1;s2;d3;s4;d5;s3s6;s2;s8;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11NO2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:5.24156
Area:364.917
Solvation:-3.88136
Coulombic:-11.3009
Bond Count [?]
All:15
Single:10
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:189.211
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.9
LogP (Chemaxon):2.25

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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