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Chemical ID: 7080521
Chemical ID:
7080521
Name [?]:
None
SMILES [?]:
CCCOc1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCCOC)C
InChi [?]:
InChI=1/C25H27NO5/c1-4-13-30-18-9-7-17(8-10-18)22-21-23(27)19-15-16(2)6-11-20(19)31-24(21)25(28)26(22)12-5-14-29-3/h6-11,15,22H,4-5,12-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,31,30,2,27,18,7,9,6,10,19,26,3,28,16,17,8,5,15,20,12,11,13,22,23,25,14,24,29,4,21/E:(7,8)(9,10)/rA:31cCCCOCCCCCCCCCOCCCCCCOCCONCCCOCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s11s23;s25;s26;s27;s28;s29;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H27NO5 |
All Atoms: | 58 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.0303 |
Area: | 674.521 |
Solvation: | -5.83271 |
Coulombic: | -50.5918 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 421.486 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.72 |
LogP (Chemaxon): | 3.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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