Chemical ID: 4745709

c1ccc(cc1)Oc2cccc(c2C#N)Cl
Chemical ID:
4745709
Name [?]:
2-chloro-6-phenoxy-benzonitrile
SMILES [?]:
c1ccc(cc1)Oc2cccc(c2C#N)Cl
InChi [?]:
InChI=1/C13H8ClNO/c14-12-7-4-8-13(11(12)9-15)16-10-5-2-1-3-6-10/h1-8H
InChi Info:
AuxInfo=1/0/N:1,2,6,10,3,5,11,9,14,4,13,12,8,16,15,7/E:(2,3)(5,6)/rA:16nCCCCCCOCCCCCCCNCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s13;t14;s12;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H8ClNO
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.05709
Area:402.473
Solvation:-2.00473
Coulombic:-13.3307
Bond Count [?]
All:17
Single:10
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:229.661
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.85
LogP (Chemaxon):3.81

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Descriptor Annotations

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