Chemical ID: 5781216

CCCCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]
Chemical ID:
5781216
Name [?]:
(4-nitrophenyl) tetradecanoate
SMILES [?]:
CCCCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]
InChi [?]:
InChI=1/C20H31NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(22)25-19-16-14-18(15-17-19)21(23)24/h14-17H,2-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,19,21,18,22,20,17,14,23,15,24,25,16/E:(14,15)(16,17)(23,24)/CRV:21.5/rA:25nCCCCCCCCCCCCCCOOCCCCCCN+OO-/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H31NO4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.48489
Area:663.906
Solvation:-7.11277
Coulombic:-32.4575
Bond Count [?]
All:25
Single:20
Double:5
Rotors:15
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:349.464
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:6.82
LogP (Chemaxon):6.49

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Descriptor Annotations

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