Chemical ID: 4734038

c1ccc2c(c1)ccc3c2cc(cc3)C(=O)C=Cc4cccc(c4)Cl
Chemical ID:
4734038
Name [?]:
3-(3-chlorophenyl)-1-(3-phenanthryl)prop-2-en-1-one
SMILES [?]:
c1ccc2c(c1)ccc3c2cc(cc3)C(=O)C=Cc4cccc(c4)Cl
InChi [?]:
InChI=1/C23H15ClO/c24-20-6-3-4-16(14-20)8-13-23(25)19-12-11-18-10-9-17-5-1-2-7-21(17)22(18)15-19/h1-15H
InChi Info:
AuxInfo=1/0/N:1,2,21,20,6,22,3,18,7,8,14,13,17,24,11,19,5,9,12,23,4,10,15,25,16/rA:25nCCCCCCCCCCCCCCCOCCCCCCCCCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s12;s9d13;s12;d15;s15;w17;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H15ClO
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.2225
Area:543.185
Solvation:-2.35716
Coulombic:-13.3415
Bond Count [?]
All:28
Single:16
Double:12
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:342.817
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:7.0
LogP (Chemaxon):6.54

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Descriptor Annotations

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