Chemical ID: 4580148

CCCCc1cc(=O)oc2c1ccc3c2CN(CO3)Cc4cccc(c4)Cl
Chemical ID:
4580148
Name [?]:
None
SMILES [?]:
CCCCc1cc(=O)oc2c1ccc3c2CN(CO3)Cc4cccc(c4)Cl
InChi [?]:
InChI=1/C22H22ClNO3/c1-2-3-6-16-11-21(25)27-22-18(16)8-9-20-19(22)13-24(14-26-20)12-15-5-4-7-17(23)10-15/h4-5,7-11H,2-3,6,12-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,23,22,4,24,12,13,26,6,20,16,18,21,5,25,11,15,14,7,10,27,17,8,19,9/rA:27cCCCCCCCOOCCCCCCCNCOCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s5s10;d11;s12;d13;d10s14;s15;s16;s17;s14s18;s17;s20;s21;d22;s23;d24;d21s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22ClNO3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:11.3015
Area:602.99
Solvation:-3.77322
Coulombic:-33.6914
Bond Count [?]
All:30
Single:22
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:383.868
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.66
LogP (Chemaxon):5.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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