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Chemical ID: 7080183
Chemical ID:
7080183
Name [?]:
None
SMILES [?]:
COCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccc(c(c4)OC)OCc5ccccc5
InChi [?]:
InChI=1/C28H25NO6/c1-32-15-14-29-25(24-26(30)20-10-6-7-11-21(20)35-27(24)28(29)31)19-12-13-22(23(16-19)33-2)34-17-18-8-4-3-5-9-18/h3-13,16,25H,14-15,17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,33,32,34,12,13,31,35,11,14,21,22,4,3,25,29,30,20,10,15,23,24,7,6,8,17,18,5,9,19,2,26,28,16/E:(4,5)(8,9)/rA:35cCOCCNCCCOCCCCCCOCCOCCCCCCOCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;d7s16;s5s17;d18;s6;s20;d21;s22;d23;d20s24;s24;s26;s23;s28;s29;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H25NO6 |
All Atoms: | 60 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.85765 |
Area: | 706.609 |
Solvation: | -7.80757 |
Coulombic: | -58.706 |
Bond Count [?]
All: | 39 |
Single: | 27 |
Double: | 12 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 471.501 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.5 |
LogP (Chemaxon): | 3.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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