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Chemical ID: 6825905
Chemical ID:
6825905
Name [?]:
None
SMILES [?]:
CCCOc1cccc(c1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2Cc5ccc6c(c5)OCO6)C
InChi [?]:
InChI=1/C29H25NO6/c1-3-11-33-20-6-4-5-19(14-20)26-25-27(31)21-12-17(2)7-9-22(21)36-28(25)29(32)30(26)15-18-8-10-23-24(13-18)35-16-34-23/h4-10,12-14,26H,3,11,15-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,36,2,7,8,6,18,28,19,29,3,16,32,10,26,34,17,27,9,5,15,20,30,31,12,11,13,22,23,25,14,24,4,35,33,21/rA:36cCCCOCCCCCCCCCOCCCCCCOCCONCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s11s23;s25;s26;s27;d28;s29;d30;d27s31;s31;s33;s30s34;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H25NO6 |
All Atoms: | 61 |
Heavy Atoms: | 36 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.0142 |
Area: | 670.615 |
Solvation: | -5.75114 |
Coulombic: | -59.9733 |
Bond Count [?]
All: | 41 |
Single: | 29 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 483.512 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 5.02 |
LogP (Chemaxon): | 5.14 |
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.
Chemical Mix | Source | External ID | Descriptor | Value |
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