Chemical ID: 6935034

CCC1CCCCN1C(=O)c2cc(cc(c2Cl)[N+](=O)[O-])[N+](=O)[O-]
Chemical ID:
6935034
Name [?]:
(2-chloro-3,5-dinitro-phenyl)-(2-ethyl-1-piperidyl)-methanone
SMILES [?]:
CCC1CCCCN1C(=O)c2cc(cc(c2Cl)[N+](=O)[O-])[N+](=O)[O-]
InChi [?]:
InChI=1/C14H16ClN3O5/c1-2-9-5-3-4-6-16(9)14(19)11-7-10(17(20)21)8-12(13(11)15)18(22)23/h7-9H,2-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,5,6,4,7,12,14,3,13,11,15,16,9,17,8,21,18,10,22,23,19,20/E:(20,21)(22,23)/CRV:17.5,18.5/rA:23cCCCCCCCNCOCCCCCCClN+OO-N+OO-/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s15;d18;s18;s13;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16ClN3O5
All Atoms:39
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:-2.19312
Area:502.818
Solvation:-14.7636
Coulombic:-31.1467
Bond Count [?]
All:24
Single:18
Double:6
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:341.747
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:3.41
LogP (Chemaxon):3.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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