Chemical ID: 4583170

CCCc1cc(=O)oc2c1cc3c(c2C)OCN(C3)CCc4ccc(cc4Cl)Cl
Chemical ID:
4583170
Name [?]:
None
SMILES [?]:
CCCc1cc(=O)oc2c1cc3c(c2C)OCN(C3)CCc4ccc(cc4Cl)Cl
InChi [?]:
InChI=1/C23H23Cl2NO3/c1-3-4-16-10-21(27)29-23-14(2)22-17(9-19(16)23)12-26(13-28-22)8-7-15-5-6-18(24)11-20(15)25/h5-6,9-11H,3-4,7-8,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,2,3,23,24,21,20,11,5,26,19,17,14,22,4,12,25,10,27,6,13,9,29,28,18,7,16,8/rA:29cCCCCCCOOCCCCCCCOCNCCCCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;s6;s8;s4s9;d10;s11;d12;d9s13;s14;s13;s16;s17;s12s18;s18;s20;s21;s22;d23;s24;d25;d22s26;s27;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H23Cl2NO3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:12.3483
Area:651.923
Solvation:-3.94976
Coulombic:-33.1985
Bond Count [?]
All:32
Single:24
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:432.339
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.09
LogP (Chemaxon):6.73

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Descriptor Annotations

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