Chemical ID: 6668753

c1cc(ccc1C#N)OC(=O)Nc2ccc(cc2Cl)[N+](=O)[O-]
Chemical ID:
6668753
Name [?]:
(4-cyanophenyl) (2-chloro-4-nitro-phenyl)aminoformate
SMILES [?]:
c1cc(ccc1C#N)OC(=O)Nc2ccc(cc2Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C14H8ClN3O4/c15-12-7-10(18(20)21)3-6-13(12)17-14(19)22-11-4-1-9(8-16)2-5-11/h1-7H,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,5,15,2,4,14,17,7,6,16,3,18,13,10,19,8,12,20,11,21,22,9/E:(1,2)(4,5)(20,21)/CRV:18.5/rA:22nCCCCCCCNOCONCCCCCCClN+OO-/rB:s1;d2;s3;d4;d1s5;s6;t7;s3;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s16;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H8ClN3O4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:5.525
Area:520.093
Solvation:-7.47732
Coulombic:-47.6395
Bond Count [?]
All:23
Single:14
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:317.684
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.13
LogP (Chemaxon):3.97

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