Chemical ID: 5553600

c1cc(ccc1C(=O)OCC(=O)NC2CCCC2)[N+](=O)[O-]
Chemical ID:
5553600
Name [?]:
cyclopentylcarbamoylmethyl 4-nitrobenzoate
SMILES [?]:
c1cc(ccc1C(=O)OCC(=O)NC2CCCC2)[N+](=O)[O-]
InChi [?]:
InChI=1/C14H16N2O5/c17-13(15-11-3-1-2-4-11)9-21-14(18)10-5-7-12(8-6-10)16(19)20/h5-8,11H,1-4,9H2,(H,15,17)
InChi Info:
AuxInfo=1/1/N:16,17,15,18,1,5,2,4,10,6,14,3,11,7,13,19,12,8,20,21,9/E:(1,2)(3,4)(5,6)(7,8)(19,20)/CRV:16.5/rA:21nCCCCCCCOOCCONCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s11;s13;s14;s15;s16;s14s17;s3;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16N2O5
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:4.32889
Area:509.906
Solvation:-8.41876
Coulombic:-52.3278
Bond Count [?]
All:22
Single:16
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:292.287
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.16
LogP (Chemaxon):1.66

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Descriptor Annotations

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