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Chemical ID: 5187174
Chemical ID:
5187174
Name [?]:
3-(1-naphthyl)-1-(2-naphthyl)prop-2-en-1-one
SMILES [?]:
c1ccc2cc(ccc2c1)C(=O)C=Cc3cccc4c3cccc4
InChi [?]:
InChI=1/C23H16O/c24-23(21-13-12-17-6-1-2-8-20(17)16-21)15-14-19-10-5-9-18-7-3-4-11-22(18)19/h1-16H
InChi Info:
AuxInfo=1/0/N:1,2,23,22,17,10,24,3,18,16,21,8,7,14,13,5,9,19,15,4,6,20,11,12/rA:24nCCCCCCCCCCCOCCCCCCCCCCCC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H16O |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0746 |
Area: | 504.705 |
Solvation: | -2.54301 |
Coulombic: | -13.0522 |
Bond Count [?]
All: | 27 |
Single: | 15 |
Double: | 12 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 308.373 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 6.38 |
LogP (Chemaxon): | 6.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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