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Chemical ID: 5872854
Chemical ID:
5872854
Name [?]:
N-(9-anthrylmethyl)-4-ethoxy-aniline
SMILES [?]:
CCOc1ccc(cc1)NCc2c3ccccc3cc4c2cccc4
InChi [?]:
InChI=1/C23H21NO/c1-2-25-20-13-11-19(12-14-20)24-16-23-21-9-5-3-7-17(21)15-18-8-4-6-10-22(18)23/h3-15,24H,2,16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,16,24,15,23,17,25,14,22,6,8,5,9,19,11,18,20,7,4,13,21,12,10,3/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)(21,22)/rA:25nCCOCCCCCCNCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;d19;d12s20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21NO |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8859 |
Area: | 548.494 |
Solvation: | -2.82644 |
Coulombic: | -22.8688 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 327.419 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.25 |
LogP (Chemaxon): | 5.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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