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Chemical ID: 6825910
Chemical ID:
6825910
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1OCC=C)C2c3c(=O)c4cc(ccc4oc3C(=O)N2Cc5ccc6c(c5)OCO6)C
InChi [?]:
InChI=1/C31H27NO7/c1-4-12-36-23-11-8-20(15-26(23)35-5-2)28-27-29(33)21-13-18(3)6-9-22(21)39-30(27)31(34)32(28)16-19-7-10-24-25(14-19)38-17-37-24/h4,6-11,13-15,28H,1,5,12,16-17H2,2-3H3
InChi Info:
AuxInfo=1/0/N:13,1,39,12,2,21,31,7,22,32,8,11,19,35,5,29,37,20,30,6,18,23,9,33,34,4,15,14,16,25,26,28,17,27,3,10,38,36,24/rA:39cCCOCCCCCCOCCCCCCOCCCCCCOCCONCCCCCCCOCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s6;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;d15s24;s25;d26;s14s26;s28;s29;s30;d31;s32;d33;d30s34;s34;s36;s33s37;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H27NO7 |
All Atoms: | 66 |
Heavy Atoms: | 39 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.44615 |
Area: | 696.352 |
Solvation: | -7.96264 |
Coulombic: | -67.3693 |
Bond Count [?]
All: | 44 |
Single: | 31 |
Double: | 13 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 525.549 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 4.92 |
LogP (Chemaxon): | 5.16 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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