Chemical ID: 6930601

Cc1c(cccc1[N+](=O)[O-])C(=O)N2CC(OC(C2)C)C
Chemical ID:
6930601
Name [?]:
(2,6-dimethylmorpholin-4-yl)-(2-methyl-3-nitro-phenyl)-methanone
SMILES [?]:
Cc1c(cccc1[N+](=O)[O-])C(=O)N2CC(OC(C2)C)C
InChi [?]:
InChI=1/C14H18N2O4/c1-9-7-15(8-10(2)20-9)14(17)12-5-4-6-13(11(12)3)16(18)19/h4-6,9-10H,7-8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:19,20,1,5,4,6,18,14,17,15,2,3,7,11,13,8,12,9,10,16/E:(1,2)(7,8)(9,10)(18,19)/CRV:16.5/rA:20cCCCCCCCN+OO-CONCCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s3;d11;s11;s13;s14;s15;s16;s13s17;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18N2O4
All Atoms:38
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:3.3486
Area:456.055
Solvation:-8.05277
Coulombic:-37.013
Bond Count [?]
All:21
Single:16
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:278.304
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.08
LogP (Chemaxon):2.1

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