Chemical ID: 7656701

COC(=O)C(C#N)c1c(nc2ccccc2n1)Cl
Chemical ID:
7656701
Name [?]:
None
SMILES [?]:
COC(=O)C(C#N)c1c(nc2ccccc2n1)Cl
InChi [?]:
InChI=1/C12H8ClN3O2/c1-18-12(17)7(6-14)10-11(13)16-9-5-3-2-4-8(9)15-10/h2-5,7H,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,12,6,5,16,11,8,9,3,18,7,17,10,4,2/rA:18cCOCOCCNCCNCCCCCCNCl/rB:s1;s2;d3;s3;s5;t6;s5;s8;d9;s10;s11;d12;s13;d14;d11s15;d8s16;s9;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H8ClN3O2
All Atoms:26
Heavy Atoms:18
Chiral Atoms:None
ZAP Information [?]
Total:8.11379
Area:438.354
Solvation:-2.84507
Coulombic:-32.3194
Bond Count [?]
All:19
Single:12
Double:6
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.03
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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