Chemical ID: 6665031

CCOc1ccc(cc1)C=C2c3ccccc3C(=O)c4c2cccc4
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

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Descriptor Annotations

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