Chemical ID: 5287918

CC(C)OCCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccc(c(c4)Cl)Cl
Chemical ID:
5287918
Name [?]:
None
SMILES [?]:
CC(C)OCCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccc(c(c4)Cl)Cl
InChi [?]:
InChI=1/C23H21Cl2NO4/c1-13(2)29-11-5-10-26-20(14-8-9-16(24)17(25)12-14)19-21(27)15-6-3-4-7-18(15)30-22(19)23(26)28/h3-4,6-9,12-13,20H,5,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,15,16,6,14,17,24,25,7,5,28,2,23,13,26,27,18,10,9,11,20,21,30,29,8,12,22,4,19/E:(1,2)/rA:30cCCCOCCCNCCCOCCCCCCOCCOCCCCCCClCl/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s8s20;d21;s9;s23;d24;s25;d26;d23s27;s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H21Cl2NO4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:11.7883
Area:654.403
Solvation:-4.5718
Coulombic:-44.2479
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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