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Chemical ID: 6762763
Chemical ID:
6762763
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1O)C2c3c(=O)c4ccccc4oc3C(=O)N2Cc5ccc(cc5)C
InChi [?]:
InChI=1/C27H23NO5/c1-3-32-22-14-18(12-13-20(22)29)24-23-25(30)19-6-4-5-7-21(19)33-26(23)27(31)28(24)15-17-10-8-16(2)9-11-17/h4-14,24,29H,3,15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,33,2,17,18,16,19,29,31,28,32,7,8,5,26,30,27,6,15,9,20,4,12,11,13,22,23,25,10,14,24,3,21/E:(8,9)(10,11)/rA:33cCCOCCCCCCOCCCOCCCCCCOCCONCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s11s23;s25;s26;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H23NO5 |
All Atoms: | 56 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.93666 |
Area: | 619.022 |
Solvation: | -5.53889 |
Coulombic: | -59.9325 |
Bond Count [?]
All: | 37 |
Single: | 25 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 441.475 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.5 |
LogP (Chemaxon): | 4.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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