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Chemical ID: 4903977
Chemical ID:
4903977
Name [?]:
None
SMILES [?]:
CC(C)OCCCN1C(c2c(=O)c3cc(ccc3oc2C1=O)Cl)c4cccc(c4)Cl
InChi [?]:
InChI=1/C23H21Cl2NO4/c1-13(2)29-10-4-9-26-20(14-5-3-6-15(24)11-14)19-21(27)17-12-16(25)7-8-18(17)30-22(19)23(26)28/h3,5-8,11-13,20H,4,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,26,6,25,27,16,17,7,5,29,14,2,24,28,15,13,18,10,9,11,20,21,30,23,8,12,22,4,19/E:(1,2)/rA:30cCCCOCCCNCCCOCCCCCCOCCOClCCCCCCCl/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;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21Cl2NO4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.9874 |
Area: | 662.636 |
Solvation: | -4.57854 |
Coulombic: | -43.767 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 446.323 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.72 |
LogP (Chemaxon): | 4.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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