Chemical ID: 7668971

Cc1c(c(n(n1)CC(C)C(=O)O)C)Br
Chemical ID:
7668971
Name [?]:
None
SMILES [?]:
Cc1c(c(n(n1)CC(C)C(=O)O)C)Br
InChi [?]:
InChI=1/C9H13BrN2O2/c1-5(9(13)14)4-12-7(3)8(10)6(2)11-12/h5H,4H2,1-3H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:9,1,13,7,8,2,4,3,10,14,6,5,11,12/E:(13,14)/rA:14cCCCCNNCCCCOOCBr/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;s8;d10;s10;s4;s3;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H13BrN2O2
All Atoms:27
Heavy Atoms:14
Chiral Atoms:None
ZAP Information [?]
Total:7.38287
Area:382.246
Solvation:-2.17328
Coulombic:-29.8563
Bond Count [?]
All:14
Single:11
Double:3
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.53
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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