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Chemical ID: 7727938
Chemical ID:
7727938
Name [?]:
None
SMILES [?]:
CCN(CC)C(=O)Oc1ccc2c(c(c(=O)oc2c1)c3ccc(cc3)OC)C
InChi [?]:
InChI=1/C22H23NO5/c1-5-23(6-2)22(25)27-17-11-12-18-14(3)20(21(24)28-19(18)13-17)15-7-9-16(26-4)10-8-15/h7-13H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,28,27,2,4,21,25,22,24,10,11,19,13,20,23,9,12,18,14,15,6,3,16,7,26,8,17/E:(1,2)(5,6)(7,8)(9,10)/rA:28nCCNCCCOOCCCCCCCOOCCCCCCCCOCC/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;d10;s11;s12;d13;s14;d15;s15;d12s17;d9s18;s14;s20;d21;s22;d23;d20s24;s23;s26;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23NO5 |
All Atoms: | 51 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.0761 |
Area: | 606.975 |
Solvation: | -4.09828 |
Coulombic: | -56.3389 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.31 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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