Chemical ID: 6322699

CC1CCCN(C1)C(=O)c2cc(ccc2Cl)[N+](=O)[O-]
Chemical ID:
6322699
Name [?]:
(2-chloro-5-nitro-phenyl)-(3-methyl-1-piperidyl)-methanone
SMILES [?]:
CC1CCCN(C1)C(=O)c2cc(ccc2Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C13H15ClN2O3/c1-9-3-2-6-15(8-9)13(17)11-7-10(16(18)19)4-5-12(11)14/h4-5,7,9H,2-3,6,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,13,14,5,11,7,2,12,10,15,8,16,6,17,9,18,19/E:(18,19)/CRV:16.5/rA:19cCCCCCNCCOCCCCCCClN+OO-/rB:s1;s2;s3;s4;s5;s2s6;s6;d8;s8;s10;d11;s12;d13;d10s14;s15;s12;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15ClN2O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:3.76753
Area:454.532
Solvation:-7.59576
Coulombic:-27.6393
Bond Count [?]
All:20
Single:15
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:282.723
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.12
LogP (Chemaxon):2.79

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Descriptor Annotations

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