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Chemical ID: 4808612
Chemical ID:
4808612
Name [?]:
None
SMILES [?]:
CC(C)(C)c1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCc5ccccc5
InChi [?]:
InChI=1/C29H27NO3/c1-29(2,3)21-15-13-20(14-16-21)25-24-26(31)22-11-7-8-12-23(22)33-27(24)28(32)30(25)18-17-19-9-5-4-6-10-19/h4-16,25H,17-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,31,30,32,17,18,29,33,16,19,7,9,6,10,27,26,28,8,5,15,20,12,11,13,22,23,2,25,14,24,21/E:(1,2,3)(5,6)(9,10)(13,14)(15,16)/rA:33cCCCCCCCCCCCCCOCCCCCCOCCONCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s11s23;s25;s26;s27;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H27NO3 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.6815 |
Area: | 675.715 |
Solvation: | -3.21137 |
Coulombic: | -39.1086 |
Bond Count [?]
All: | 37 |
Single: | 25 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 437.53 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 6.1 |
LogP (Chemaxon): | 6.31 |
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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