Chemical ID: 4135875

c1cc(cc(c1)c2cccc(c2)O)C#N
Chemical ID:
4135875
Name [?]:
3-(3-hydroxyphenyl)benzonitrile
SMILES [?]:
c1cc(cc(c1)c2cccc(c2)O)C#N
InChi [?]:
InChI=1/C13H9NO/c14-9-10-3-1-4-11(7-10)12-5-2-6-13(15)8-12/h1-8,15H
InChi Info:
AuxInfo=1/0/N:1,9,2,6,8,10,4,12,14,3,5,7,11,15,13/rA:15nCCCCCCCCCCCCOCN/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s11;s3;t14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9NO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.50256
Area:385.214
Solvation:-2.12778
Coulombic:-21.5867
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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