Chemical ID: 5524566

Cc1c(cc2c(n1)-c3cc(cc(c3OC2O)Cl)Cl)C#N
Chemical ID:
5524566
Name [?]:
None
SMILES [?]:
Cc1c(cc2c(n1)-c3cc(cc(c3OC2O)Cl)Cl)C#N
InChi [?]:
InChI=1/C14H8Cl2N2O2/c1-6-7(5-17)2-10-12(18-6)9-3-8(15)4-11(16)13(9)20-14(10)19/h2-4,14,19H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,9,11,19,2,3,10,8,5,12,6,13,15,18,17,20,7,16,14/rA:20cCCCCCCNCCCCCCOCOClClCN/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;d8s12;s13;s5s14;s15;s12;s10;s3;t19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H8Cl2N2O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:8.78157
Area:471.233
Solvation:-2.99925
Coulombic:-34.0494
Bond Count [?]
All:22
Single:15
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:307.131
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.21
LogP (Chemaxon):3.21

Name Annotations

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Descriptor Annotations

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