Chemical ID: 5159952

c1ccc(cc1)C(C#N)Oc2ccccc2
Chemical ID:
5159952
Name [?]:
2-phenoxy-2-phenyl-acetonitrile
SMILES [?]:
c1ccc(cc1)C(C#N)Oc2ccccc2
InChi [?]:
InChI=1/C14H11NO/c15-11-14(12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1-10,14H
InChi Info:
AuxInfo=1/0/N:1,14,2,6,13,15,3,5,12,16,8,4,11,7,9,10/E:(3,4)(5,6)(7,8)(9,10)/rA:16cCCCCCCCCNOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;t8;s7;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11NO
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:7.96724
Area:401.877
Solvation:-2.07968
Coulombic:-15.4028
Bond Count [?]
All:17
Single:10
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:209.243
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.01
LogP (Chemaxon):3.64

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Descriptor Annotations

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