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Chemical ID: 6653708
Chemical ID:
6653708
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2-c4c5ccccc5ccc4OCCNCCO3
InChi [?]:
InChI=1/C24H21NO2/c1-3-7-19-17(5-1)9-11-21-23(19)24-20-8-4-2-6-18(20)10-12-22(24)27-16-14-25-13-15-26-21/h1-12,25H,13-16H2
InChi Info:
AuxInfo=1/0/N:1,15,2,14,6,16,3,13,7,18,8,19,25,23,26,22,5,17,4,12,9,20,10,11,24,27,21/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(26,27)/rA:27nCCCCCCCCCCCCCCCCCCCCOCCNCCO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;s12;d13;s14;d15;d12s16;s17;d18;d11s19;s20;s21;s22;s23;s24;s25;s9s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H21NO2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.96996 |
Area: | 508.151 |
Solvation: | -3.73381 |
Coulombic: | -27.3795 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 355.429 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.73 |
LogP (Chemaxon): | 4.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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