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Chemical ID: 5159923
Chemical ID:
5159923
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C(=O)CCCCN2CCN3c4ccccc4CCC3C2
InChi [?]:
InChI=1/C23H28N2O/c26-23(20-9-2-1-3-10-20)12-6-7-15-24-16-17-25-21(18-24)14-13-19-8-4-5-11-22(19)25/h1-5,8-11,21H,6-7,12-18H2
InChi Info:
AuxInfo=1/0/N:1,2,6,20,19,10,11,21,3,5,18,9,23,24,12,14,15,26,22,4,25,17,7,13,16,8/E:(2,3)(9,10)/rA:26cCCCCCCCOCCCCNCCNCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s12;s13;s14;s15;s16;s17;d18;s19;d20;d17s21;s22;s23;s16s24;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H28N2O |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 11.1258 |
Area: | 586.257 |
Solvation: | -3.53065 |
Coulombic: | -20.5335 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 348.481 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.31 |
LogP (Chemaxon): | 4.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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