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Chemical ID: 6665031
Chemical ID:
6665031
Name [?]:
10-[(4-ethoxyphenyl)methylene]anthracen-9-one
SMILES [?]:
CCOc1ccc(cc1)C=C2c3ccccc3C(=O)c4c2cccc4
InChi [?]:
InChI=1/C23H18O2/c1-2-25-17-13-11-16(12-14-17)15-22-18-7-3-5-9-20(18)23(24)21-10-6-4-8-19(21)22/h3-15H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,23,15,24,13,22,16,25,6,8,5,9,10,7,4,12,21,17,20,11,18,19,3/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(18,19)(20,21)/rA:25nCCOCCCCCCCCCCCCCCCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s14;d15;d12s16;s17;d18;s18;s11s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.97731 |
Area: | 516.572 |
Solvation: | -2.937 |
Coulombic: | -20.5568 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 326.388 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.38 |
LogP (Chemaxon): | 5.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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