Chemical ID: 4580863

CCCCc1cc(=O)oc2c1ccc3c2CN(CO3)CCc4ccc(cc4)Cl
Chemical ID:
4580863
Name [?]:
None
SMILES [?]:
CCCCc1cc(=O)oc2c1ccc3c2CN(CO3)CCc4ccc(cc4)Cl
InChi [?]:
InChI=1/C23H24ClNO3/c1-2-3-4-17-13-22(26)28-23-19(17)9-10-21-20(23)14-25(15-27-21)12-11-16-5-7-18(24)8-6-16/h5-10,13H,2-4,11-12,14-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,23,27,24,26,12,13,21,20,6,16,18,22,5,25,11,15,14,7,10,28,17,8,19,9/E:(5,6)(7,8)/rA:28cCCCCCCCOOCCCCCCCNCOCCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s5s10;d11;s12;d13;d10s14;s15;s16;s17;s14s18;s17;s20;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24ClNO3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:12.2869
Area:637.778
Solvation:-3.65754
Coulombic:-34.0118
Bond Count [?]
All:31
Single:23
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:397.894
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.81
LogP (Chemaxon):6.14

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Descriptor Annotations

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