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Chemical ID: 7080793
Chemical ID:
7080793
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1OCC=C)C2c3c(=O)c4ccccc4oc3C(=O)N2CCc5ccccc5
InChi [?]:
InChI=1/C30H27NO5/c1-3-18-35-24-15-14-21(19-25(24)34-4-2)27-26-28(32)22-12-8-9-13-23(22)36-29(26)30(33)31(27)17-16-20-10-6-5-7-11-20/h3,5-15,19,27H,1,4,16-18H2,2H3
InChi Info:
AuxInfo=1/0/N:13,1,12,2,34,33,35,20,21,32,36,19,22,7,8,30,29,11,5,31,6,18,23,9,4,15,14,16,25,26,28,17,27,3,10,24/E:(6,7)(10,11)/rA:36cCCOCCCCCCOCCCCCCOCCCCCCOCCONCCCCCCCC/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;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H27NO5 |
All Atoms: | 63 |
Heavy Atoms: | 36 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.9282 |
Area: | 743.067 |
Solvation: | -6.64846 |
Coulombic: | -52.8604 |
Bond Count [?]
All: | 40 |
Single: | 27 |
Double: | 13 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 481.539 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.89 |
LogP (Chemaxon): | 5.26 |
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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