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Chemical ID: 6825873
Chemical ID:
6825873
Name [?]:
None
SMILES [?]:
CCCCOc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2Cc5ccc6c(c5)OCO6
InChi [?]:
InChI=1/C29H25NO6/c1-2-3-14-33-20-11-9-19(10-12-20)26-25-27(31)21-6-4-5-7-22(21)36-28(25)29(32)30(26)16-18-8-13-23-24(15-18)35-17-34-23/h4-13,15,26H,2-3,14,16-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,18,19,17,20,29,8,10,7,11,30,4,33,27,35,28,9,6,16,21,31,32,13,12,14,23,24,26,15,25,5,36,34,22/E:(9,10)(11,12)/rA:36cCCCCOCCCCCCCCCOCCCCCCOCCONCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d13s22;s23;d24;s12s24;s26;s27;s28;d29;s30;d31;d28s32;s32;s34;s31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H25NO6 |
All Atoms: | 61 |
Heavy Atoms: | 36 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.5487 |
Area: | 668.479 |
Solvation: | -6.16331 |
Coulombic: | -59.9952 |
Bond Count [?]
All: | 41 |
Single: | 29 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 483.512 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 5.15 |
LogP (Chemaxon): | 5.07 |
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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