Chemical ID: 5872854

CCOc1ccc(cc1)NCc2c3ccccc3cc4c2cccc4
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

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Descriptor Annotations

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