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Chemical ID: 4792657
Chemical ID:
4792657
Name [?]:
None
SMILES [?]:
c1ccc(cc1)N2CCN(CC2)Cc3cc(=O)oc4c3c5ccccc5cc4
InChi [?]:
InChI=1/C24H22N2O2/c27-23-16-19(24-21-9-5-4-6-18(21)10-11-22(24)28-23)17-25-12-14-26(15-13-25)20-7-2-1-3-8-20/h1-11,16H,12-15,17H2
InChi Info:
AuxInfo=1/0/N:1,2,6,24,23,25,3,5,22,27,28,9,11,8,12,15,13,26,14,4,21,19,16,20,10,7,17,18/E:(2,3)(7,8)(12,13)(14,15)/rA:28nCCCCCCNCCNCCCCCCOOCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s10;s13;d14;s15;d16;s16;s18;s14s19;d20;s21;d22;s23;d24;s21s25;d26;d19s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H22N2O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6333 |
Area: | 555.421 |
Solvation: | -3.25219 |
Coulombic: | -32.584 |
Bond Count [?]
All: | 32 |
Single: | 22 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 370.444 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.52 |
LogP (Chemaxon): | 4.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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