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Chemical ID: 4490230
Chemical ID:
4490230
Name [?]:
None
SMILES [?]:
CCCCOc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2Cc5ccc(cc5)C
InChi [?]:
InChI=1/C29H27NO4/c1-3-4-17-33-22-15-13-21(14-16-22)26-25-27(31)23-7-5-6-8-24(23)34-28(25)29(32)30(26)18-20-11-9-19(2)10-12-20/h5-16,26H,3-4,17-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,34,2,3,18,19,17,20,30,32,29,33,8,10,7,11,4,27,31,28,9,6,16,21,13,12,14,23,24,26,15,25,5,22/E:(9,10)(11,12)(13,14)(15,16)/rA:34cCCCCOCCCCCCCCCOCCCCCCOCCONCCCCCCCC/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;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H27NO4 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.0949 |
Area: | 699.797 |
Solvation: | -4.40001 |
Coulombic: | -45.3233 |
Bond Count [?]
All: | 38 |
Single: | 26 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 453.529 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.83 |
LogP (Chemaxon): | 5.85 |
Name Annotations
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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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