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Chemical ID: 4267060
Chemical ID:
4267060
Name [?]:
1,3-diphenyl-2-(1H-quinolin-2-ylidene)propane-1,3-dione
SMILES [?]:
c1ccc(cc1)C(=O)C(=C2C=Cc3ccccc3N2)C(=O)c4ccccc4
InChi [?]:
InChI=1/C24H17NO2/c26-23(18-10-3-1-4-11-18)22(24(27)19-12-5-2-6-13-19)21-16-15-17-9-7-8-14-20(17)25-21/h1-16,25H
InChi Info:
AuxInfo=1/0/N:1,25,2,6,24,26,15,16,14,3,5,23,27,17,12,11,13,4,22,18,10,9,7,20,19,8,21/E:(1,2)(3,4,5,6)(10,11,12,13)(18,19)(23,24)(26,27)/rA:27nCCCCCCCOCCCCCCCCCCNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;d9;s10;d11;s12;s13;d14;s15;d16;d13s17;s10s18;s9;d20;s20;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H17NO2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5739 |
Area: | 557.611 |
Solvation: | -2.36641 |
Coulombic: | -32.9061 |
Bond Count [?]
All: | 30 |
Single: | 17 |
Double: | 13 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 351.397 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.07 |
LogP (Chemaxon): | 4.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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