Chemical ID: 4579205

c1ccc2c(c1)c3ccc4c(c3oc2=O)CN(CO4)Cc5ccc(cc5)Cl
Chemical ID:
4579205
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3ccc4c(c3oc2=O)CN(CO4)Cc5ccc(cc5)Cl
InChi [?]:
InChI=1/C22H16ClNO3/c23-15-7-5-14(6-8-15)11-24-12-19-20(26-13-24)10-9-17-16-3-1-2-4-18(16)22(25)27-21(17)19/h1-10H,11-13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,22,26,23,25,8,9,20,16,18,21,24,5,7,4,11,10,12,14,27,17,15,19,13/E:(5,6)(7,8)/rA:27cCCCCCCCCCCCCOCOCNCOCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s12;s4s13;d14;s11;s16;s17;s10s18;s17;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16ClNO3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.5661
Area:568.249
Solvation:-3.64013
Coulombic:-34.5989
Bond Count [?]
All:31
Single:21
Double:10
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:377.82
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.37
LogP (Chemaxon):5.23

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Descriptor Annotations

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