Chemical ID: 5566812

c1ccc(cc1)C2(CCC(=CC2)C#CC(=O)O)c3ccccc3
Chemical ID:
5566812
Name [?]:
3-(4,4-diphenyl-1-cyclohexenyl)prop-2-ynoic acid
SMILES [?]:
c1ccc(cc1)C2(CCC(=CC2)C#CC(=O)O)c3ccccc3
InChi [?]:
InChI=1/C21H18O2/c22-20(23)12-11-17-13-15-21(16-14-17,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,13H,14-16H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,21,2,6,20,22,3,5,19,23,13,14,11,9,12,8,10,4,18,15,7,16,17/E:(1,2)(3,4,5,6)(7,8,9,10)(18,19)(22,23)/rA:23nCCCCCCCCCCCCCCCOOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s7s11;s10;t13;s14;d15;s15;s7;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H18O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.0681
Area:518.739
Solvation:-1.90034
Coulombic:-33.8528
Bond Count [?]
All:25
Single:16
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:302.366
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.05
LogP (Chemaxon):5.29

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Descriptor Annotations

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