Chemical ID: 7674852

CC1(C(N(C(=O)O1)CCc2cnc[nH]2)(C)O)C
Chemical ID:
7674852
Name [?]:
None
SMILES [?]:
CC1(C(N(C(=O)O1)CCc2cnc[nH]2)(C)O)C
InChi [?]:
InChI=1/C11H17N3O3/c1-10(2)11(3,16)14(9(15)17-10)5-4-8-6-12-7-13-8/h6-7,16H,4-5H2,1-3H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,17,15,9,8,11,13,10,5,2,3,12,14,4,6,16,7/E:(1,2)/rA:17cCCCNCOOCCCCNCNCOC/rB:s1;s2;s3;s4;d5;s2s5;s4;s8;s9;d10;s11;d12;s10s13;s3;s3;s2;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H17N3O3
All Atoms:34
Heavy Atoms:17
Chiral Atoms:None
ZAP Information [?]
Total:6.66752
Area:413.426
Solvation:-3.66813
Coulombic:-60.4934
Bond Count [?]
All:18
Single:15
Double:3
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:0.39
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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