Chemical ID: 4579207

CCc1cc(=O)oc2c1ccc3c2CN(CO3)Cc4ccc(cc4)Cl
Chemical ID:
4579207
Name [?]:
None
SMILES [?]:
CCc1cc(=O)oc2c1ccc3c2CN(CO3)Cc4ccc(cc4)Cl
InChi [?]:
InChI=1/C20H18ClNO3/c1-2-14-9-19(23)25-20-16(14)7-8-18-17(20)11-22(12-24-18)10-13-3-5-15(21)6-4-13/h3-9H,2,10-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,20,24,21,23,10,11,4,18,14,16,19,3,22,9,13,12,5,8,25,15,6,17,7/E:(3,4)(5,6)/rA:25cCCCCCOOCCCCCCCNCOCCCCCCCCl/rB:s1;s2;d3;s4;d5;s5;s7;s3s8;d9;s10;d11;d8s12;s13;s14;s15;s12s16;s15;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18ClNO3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:9.968
Area:549.831
Solvation:-3.77778
Coulombic:-33.0414
Bond Count [?]
All:28
Single:20
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:355.815
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.52
LogP (Chemaxon):5.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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