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Chemical ID: 5782713
Chemical ID:
5782713
Name [?]:
None
SMILES [?]:
Cc1cccc(c1)C(=O)N2CCc3c4ccccc4[nH]c3C2c5ccc6c(c5)OCO6
InChi [?]:
InChI=1/C26H22N2O3/c1-16-5-4-6-18(13-16)26(29)28-12-11-20-19-7-2-3-8-21(19)27-24(20)25(28)17-9-10-22-23(14-17)31-15-30-22/h2-10,13-14,25,27H,11-12,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,17,4,3,5,15,18,24,25,12,11,7,28,30,2,23,6,14,13,19,26,27,21,22,8,20,10,9,31,29/rA:31cCCCCCCCCONCCCCCCCCCNCCCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s19;d13s20;s10s21;s22;s23;d24;s25;d26;d23s27;s27;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H22N2O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.9899 |
Area: | 597.589 |
Solvation: | -3.94984 |
Coulombic: | -47.2588 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 410.465 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.97 |
LogP (Chemaxon): | 5.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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