Chemical ID: 4743995

Cc1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])N2CCCC2
Chemical ID:
4743995
Name [?]:
1-(5-methyl-2,4-dinitro-phenyl)pyrrolidine
SMILES [?]:
Cc1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])N2CCCC2
InChi [?]:
InChI=1/C11H13N3O4/c1-8-6-10(12-4-2-3-5-12)11(14(17)18)7-9(8)13(15)16/h6-7H,2-5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,17,15,18,3,6,2,7,4,5,14,8,11,9,10,12,13/E:(2,3)(4,5)(15,16)(17,18)/CRV:13.5,14.5/rA:18nCCCCCCCN+OO-N+OO-NCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s5;d11;s11;s4;s14;s15;s16;s14s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13N3O4
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-3.49713
Area:412.919
Solvation:-13.8201
Coulombic:-24.09
Bond Count [?]
All:19
Single:14
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:251.239
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:2.5
LogP (Chemaxon):3.01

Name Annotations

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Descriptor Annotations

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