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Chemical ID: 7080288
Chemical ID:
7080288
Name [?]:
None
SMILES [?]:
CCCOc1cccc(c1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCOC)Cl
InChi [?]:
InChI=1/C23H22ClNO5/c1-3-10-29-16-6-4-5-14(12-16)20-19-21(26)17-13-15(24)7-8-18(17)30-22(19)23(27)25(20)9-11-28-2/h4-8,12-13,20H,3,9-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,2,7,8,6,18,19,26,3,27,10,16,9,17,5,15,20,12,11,13,22,23,30,25,14,24,28,4,21/rA:30cCCCOCCCCCCCCCOCCCCCCOCCONCCOCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s11s23;s25;s26;s27;s28;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22ClNO5 |
All Atoms: | 52 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.7863 |
Area: | 650.551 |
Solvation: | -5.47751 |
Coulombic: | -50.6054 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 427.877 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.55 |
LogP (Chemaxon): | 3.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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