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Chemical ID: 4799874
Chemical ID:
4799874
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C34c5ccccc5N(C4=O)C)CCOC
InChi [?]:
InChI=1/C23H20N2O5/c1-13-8-9-17-14(12-13)19(26)18-20(30-17)21(27)25(10-11-29-3)23(18)15-6-4-5-7-16(15)24(2)22(23)28/h4-9,12H,10-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,30,19,20,18,21,3,4,27,28,7,2,6,17,22,5,10,8,11,13,24,16,23,15,9,14,25,29,12/rA:30cCCCCCCCCOCCOCONCCCCCCCNCOCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s22;s16s23;d24;s23;s15;s27;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H20N2O5 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.25767 |
Area: | 564.772 |
Solvation: | -4.86164 |
Coulombic: | -58.4248 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 404.415 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 1.78 |
LogP (Chemaxon): | 1.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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