Chemical ID: 4703520

c1ccc2c(c1)ccc3c2C4C(CO3)CON4C(=O)c5ccc(c(c5)Cl)Cl
Chemical ID:
4703520
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2C4C(CO3)CON4C(=O)c5ccc(c(c5)Cl)Cl
InChi [?]:
InChI=1/C21H15Cl2NO3/c22-16-7-5-13(9-17(16)23)21(25)24-20-14(11-27-24)10-26-18-8-6-12-3-1-2-4-15(12)19(18)20/h1-9,14,20H,10-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,21,7,22,8,25,13,15,5,20,12,4,23,24,9,10,11,18,27,26,17,19,14,16/rA:27cCCCCCCCCCCCCCOCONCOCCCCCCClCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;s12;s9s13;s12;s15;s11s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H15Cl2NO3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:10.0972
Area:541.879
Solvation:-3.44979
Coulombic:-27.4299
Bond Count [?]
All:31
Single:22
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:400.254
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.53
LogP (Chemaxon):4.83

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