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Chemical ID: 7433649
Chemical ID:
7433649
Name [?]:
None
SMILES [?]:
CCc1c(c2cc3c(c(c2oc1=O)C)OCN(C3)Cc4ccc(cc4)OC)C
InChi [?]:
InChI=1/C23H25NO4/c1-5-19-14(2)20-10-17-12-24(11-16-6-8-18(26-4)9-7-16)13-27-21(17)15(3)22(20)28-23(19)25/h6-10H,5,11-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,14,27,2,21,25,22,24,6,19,18,16,4,9,20,7,23,3,5,8,10,12,17,13,26,15,11/E:(6,7)(8,9)/rA:28cCCCCCCCCCCOCOCOCNCCCCCCCCOCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s10;s3s11;d12;s9;s8;s15;s16;s7s17;s17;s19;s20;d21;s22;d23;d20s24;s23;s26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25NO4 |
All Atoms: | 53 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.40206 |
Area: | 590.06 |
Solvation: | -5.34943 |
Coulombic: | -39.0101 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 379.449 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.18 |
LogP (Chemaxon): | 5.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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