Chemical ID: 4878001

c1ccc2c(c1)C=CN3C2C4C(C3C(=O)N)C(=O)N(C4=O)c5cc(cc(c5)Cl)Cl
Chemical ID:
4878001
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C=CN3C2C4C(C3C(=O)N)C(=O)N(C4=O)c5cc(cc(c5)Cl)Cl
InChi [?]:
InChI=1/C21H15Cl2N3O3/c22-11-7-12(23)9-13(8-11)26-20(28)15-16(21(26)29)18(19(24)27)25-6-5-10-3-1-2-4-14(10)17(15)25/h1-9,15-18H,(H2,24,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,8,25,23,27,5,24,26,22,4,11,12,10,13,14,20,17,29,28,16,9,19,15,21,18/E:(8,9)(11,12)(22,23)/rA:29cCCCCCCCCNCCCCCONCONCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s4s9;s10;s11;s9s12;s13;d14;s14;s12;d17;s17;s11s19;d20;s19;s22;d23;s24;d25;d22s26;s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H15Cl2N3O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:5
ZAP Information [?]
Total:10.3566
Area:585.492
Solvation:-4.2807
Coulombic:-55.3663
Bond Count [?]
All:33
Single:23
Double:10
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:428.268
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.66
LogP (Chemaxon):2.53

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Descriptor Annotations

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