Chemical ID: 4216799

c1ccc(cc1)c2c3cc(ccc3no2)Cl
Chemical ID:
4216799
Name [?]:
5-chloro-3-phenyl-benzo[c]isoxazole
SMILES [?]:
c1ccc(cc1)c2c3cc(ccc3no2)Cl
InChi [?]:
InChI=1/C13H8ClNO/c14-10-6-7-12-11(8-10)13(16-15-12)9-4-2-1-3-5-9/h1-8H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,11,12,9,4,10,8,13,7,16,14,15/E:(2,3)(4,5)/rA:16nCCCCCCCCCCCCCNOCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s10;d11;s8s12;d13;s7s14;s10;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H8ClNO
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.15952
Area:397.387
Solvation:-1.77516
Coulombic:-7.08988
Bond Count [?]
All:18
Single:11
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:229.661
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.99
LogP (Chemaxon):3.92

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Descriptor Annotations

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