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Chemical ID: 4492043
Chemical ID:
4492043
Name [?]:
None
SMILES [?]:
CCCOc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2Cc5ccccc5
InChi [?]:
InChI=1/C27H23NO4/c1-2-16-31-20-14-12-19(13-15-20)24-23-25(29)21-10-6-7-11-22(21)32-26(23)27(30)28(24)17-18-8-4-3-5-9-18/h3-15,24H,2,16-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,30,29,31,17,18,28,32,16,19,7,9,6,10,3,26,27,8,5,15,20,12,11,13,22,23,25,14,24,4,21/E:(4,5)(8,9)(12,13)(14,15)/rA:32cCCCOCCCCCCCCCOCCCCCCOCCONCCCCCCC/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;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H23NO4 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.8887 |
Area: | 651.384 |
Solvation: | -4.39589 |
Coulombic: | -45.2556 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 425.476 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.83 |
LogP (Chemaxon): | 4.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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