Chemical ID: 7156632

CC1CCCC(N1C(=O)CCn2cc(cn2)[N+](=O)[O-])C
Chemical ID:
7156632
Name [?]:
1-(2,6-dimethyl-1-piperidyl)-3-(4-nitropyrazol-1-yl)-propan-1-one
SMILES [?]:
CC1CCCC(N1C(=O)CCn2cc(cn2)[N+](=O)[O-])C
InChi [?]:
InChI=1/C13H20N4O3/c1-10-4-3-5-11(2)16(10)13(18)6-7-15-9-12(8-14-15)17(19)20/h8-11H,3-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,4,3,5,10,11,15,13,2,6,14,8,16,12,7,17,9,18,19/E:(1,2)(4,5)(10,11)(19,20)/CRV:17.5/rA:20cCCCCCCNCOCCNCCCNN+OO-C/rB:s1;s2;s3;s4;s5;s2s6;s7;d8;s8;s10;s11;s12;d13;s14;s12d15;s14;d17;s17;s6;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20N4O3
All Atoms:40
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:4.33685
Area:470.485
Solvation:-7.42526
Coulombic:-32.2733
Bond Count [?]
All:21
Single:17
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:280.323
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.95
LogP (Chemaxon):1.17

Name Annotations

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Descriptor Annotations

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