Chemical ID: 3965447

c1cc(c(c2c1N=C3NC(=O)CN3C2)Cl)Cl
Chemical ID:
3965447
Name [?]:
None
SMILES [?]:
c1cc(c(c2c1N=C3NC(=O)CN3C2)Cl)Cl
InChi [?]:
InChI=1/C10H7Cl2N3O/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7/h1-2H,3-4H2,(H,13,14,16)
InChi Info:
AuxInfo=1/1/N:2,1,14,12,5,3,6,10,4,8,16,15,7,9,13,11/rA:16nCCCCCCNCNCOCNCClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;d10;s10;s8s12;s5s13;s4;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7Cl2N3O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.78154
Area:397.697
Solvation:-2.1609
Coulombic:-33.5686
Bond Count [?]
All:18
Single:13
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:256.088
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.1
LogP (Chemaxon):2.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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