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Chemical ID: 5280284
Chemical ID:
5280284
Name [?]:
None
SMILES [?]:
CC(C)OCCCN1C(c2c(=O)c3cc(ccc3oc2C1=O)Cl)c4ccc(cc4)OC
InChi [?]:
InChI=1/C24H24ClNO5/c1-14(2)30-12-4-11-26-21(15-5-8-17(29-3)9-6-15)20-22(27)18-13-16(25)7-10-19(18)31-23(20)24(26)28/h5-10,13-14,21H,4,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,31,6,25,29,16,26,28,17,7,5,14,2,24,15,27,13,18,10,9,11,20,21,23,8,12,22,30,4,19/E:(1,2)(5,6)(8,9)/rA:31cCCCOCCCNCCCOCCCCCCOCCOClCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s8s20;d21;s15;s9;s24;d25;s26;d27;d24s28;s27;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24ClNO5 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.5943 |
Area: | 665.752 |
Solvation: | -6.04948 |
Coulombic: | -49.7618 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 441.904 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.01 |
LogP (Chemaxon): | 3.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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