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Chemical ID: 4797179
Chemical ID:
4797179
Name [?]:
None
SMILES [?]:
CN1c2ccccc2C3(C1=O)c4c(=O)c5ccccc5oc4C(=O)N3CCCOC
InChi [?]:
InChI=1/C23H20N2O5/c1-24-16-10-5-4-9-15(16)23(22(24)28)18-19(26)14-8-3-6-11-17(14)30-20(18)21(27)25(23)12-7-13-29-2/h3-6,8-11H,7,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,17,6,5,18,27,16,7,4,19,26,28,15,8,3,20,12,13,22,23,10,9,2,25,14,24,11,29,21/rA:30cCNCCCCCCCCOCCOCCCCCCOCCONCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2s9;d10;s9;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s9s23;s25;s26;s27;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H20N2O5 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.40998 |
Area: | 594.527 |
Solvation: | -5.45319 |
Coulombic: | -59.2102 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 404.415 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 1.7 |
LogP (Chemaxon): | 1.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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