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Chemical ID: 7722143
Chemical ID:
7722143
Name [?]:
None
SMILES [?]:
CC(=O)c1ccccc1OCC(CN2CCC(CC2)Cc3ccccc3)O
InChi [?]:
InChI=1/C23H29NO3/c1-18(25)22-9-5-6-10-23(22)27-17-21(26)16-24-13-11-20(12-14-24)15-19-7-3-2-4-8-19/h2-10,20-21,26H,11-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,24,23,25,6,7,22,26,5,8,16,18,15,19,20,13,11,2,21,17,12,4,9,14,3,27,10/E:(3,4)(7,8)(11,12)(13,14)/rA:27cCCOCCCCCCOCCCNCCCCCCCCCCCCO/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;s17;s20;s21;d22;s23;d24;d21s25;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H29NO3 |
All Atoms: | 56 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.28774 |
Area: | 615.882 |
Solvation: | -7.10932 |
Coulombic: | -36.2575 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.77 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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