Chemical ID: 5646573

c1cc(ccc1C#N)c2ccc(cc2)O
Chemical ID:
5646573
Name [?]:
4-(4-hydroxyphenyl)benzonitrile
SMILES [?]:
c1cc(ccc1C#N)c2ccc(cc2)O
InChi [?]:
InChI=1/C13H9NO/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h1-8,15H
InChi Info:
AuxInfo=1/0/N:1,5,2,4,10,14,11,13,7,6,3,9,12,8,15/E:(1,2)(3,4)(5,6)(7,8)/rA:15nCCCCCCCNCCCCCCO/rB:s1;d2;s3;d4;d1s5;s6;t7;s3;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9NO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.43521
Area:384.883
Solvation:-2.18687
Coulombic:-21.514
Bond Count [?]
All:16
Single:9
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:195.217
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.28
LogP (Chemaxon):3.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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