Chemical ID: 6503831

c1ccc(cc1)c2conc2c3ccccc3
Chemical ID:
6503831
Name [?]:
3,4-diphenylisoxazole
SMILES [?]:
c1ccc(cc1)c2conc2c3ccccc3
InChi [?]:
InChI=1/C15H11NO/c1-3-7-12(8-4-1)14-11-17-16-15(14)13-9-5-2-6-10-13/h1-11H
InChi Info:
AuxInfo=1/0/N:1,15,2,6,14,16,3,5,13,17,8,4,12,7,11,10,9/E:(3,4)(5,6)(7,8)(9,10)/rA:17nCCCCCCCCONCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11NO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.85313
Area:394.861
Solvation:-2.01839
Coulombic:-7.15958
Bond Count [?]
All:19
Single:11
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:221.254
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.46
LogP (Chemaxon):4.32

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Descriptor Annotations

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