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Chemical ID: 4734038
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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