Chemical ID: 4135874

c1cc(cc(c1)c2ccc(cc2)O)C#N
Chemical ID:
4135874
Name [?]:
3-(4-hydroxyphenyl)benzonitrile
SMILES [?]:
c1cc(cc(c1)c2ccc(cc2)O)C#N
InChi [?]:
InChI=1/C13H9NO/c14-9-10-2-1-3-12(8-10)11-4-6-13(15)7-5-11/h1-8,15H
InChi Info:
AuxInfo=1/0/N:1,2,6,8,12,9,11,4,14,3,7,5,10,15,13/E:(4,5)(6,7)/rA:15nCCCCCCCCCCCCOCN/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s10;s3;t14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9NO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.46019
Area:384.989
Solvation:-2.16455
Coulombic:-21.517
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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Descriptor Annotations

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