Chemical ID: 7666825

Cc1c(cnn1C(C)C(=O)O)Cl
Chemical ID:
7666825
Name [?]:
None
SMILES [?]:
Cc1c(cnn1C(C)C(=O)O)Cl
InChi [?]:
InChI=1/C7H9ClN2O2/c1-4-6(8)3-9-10(4)5(2)7(11)12/h3,5H,1-2H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,8,4,2,7,3,9,12,5,6,10,11/E:(11,12)/rA:12cCCCCNNCCCOOCl/rB:s1;d2;s3;d4;s2s5;s6;s7;s7;d9;s9;s3;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H9ClN2O2
All Atoms:21
Heavy Atoms:12
Chiral Atoms:None
ZAP Information [?]
Total:5.93802
Area:345.154
Solvation:-2.69084
Coulombic:-30.7104
Bond Count [?]
All:12
Single:9
Double:3
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.28
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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