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Chemical ID: 7080469
Chemical ID:
7080469
Name [?]:
None
SMILES [?]:
CC(C)CCOc1ccc(cc1OC)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCOC
InChi [?]:
InChI=1/C27H31NO6/c1-17(2)12-15-33-21-11-10-18(16-22(21)32-4)24-23-25(29)19-8-5-6-9-20(19)34-26(23)27(30)28(24)13-7-14-31-3/h5-6,8-11,16-17,24H,7,12-15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,34,14,21,22,31,20,23,9,8,4,30,32,5,11,2,10,19,24,7,12,16,15,17,26,27,29,18,28,33,13,6,25/E:(1,2)/rA:34cCCCCCOCCCCCCOCCCCOCCCCCCOCCONCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s10;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;d16s25;s26;d27;s15s27;s29;s30;s31;s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H31NO6 |
All Atoms: | 65 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.3017 |
Area: | 730.694 |
Solvation: | -7.96561 |
Coulombic: | -57.4442 |
Bond Count [?]
All: | 37 |
Single: | 28 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 465.538 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 4.01 |
LogP (Chemaxon): | 3.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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