Chemical ID: 7080452

COCCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccc(c(c4)Cl)Cl
Chemical ID:
7080452
Name [?]:
None
SMILES [?]:
COCCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccc(c(c4)Cl)Cl
InChi [?]:
InChI=1/C21H17Cl2NO4/c1-27-10-4-9-24-18(12-7-8-14(22)15(23)11-12)17-19(25)13-5-2-3-6-16(13)28-20(17)21(24)26/h2-3,5-8,11,18H,4,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,14,4,12,15,22,23,5,3,26,21,11,24,25,16,8,7,9,18,19,28,27,6,10,20,2,17/rA:28cCOCCCNCCCOCCCCCCOCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;d8s17;s6s18;d19;s7;s21;d22;s23;d24;d21s25;s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H17Cl2NO4
All Atoms:45
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:10.7455
Area:619.338
Solvation:-4.73797
Coulombic:-43.9049
Bond Count [?]
All:31
Single:22
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:418.269
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.83
LogP (Chemaxon):3.58

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Descriptor Annotations

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