Chemical ID: 4635491

c1cc(c(cc1[N+](=O)[O-])CNc2c(c(c(c(c2F)F)F)F)F)O
Chemical ID:
4635491
Name [?]:
4-nitro-2-[(2,3,4,5,6-pentafluorophenyl)aminomethyl]phenol
SMILES [?]:
c1cc(c(cc1[N+](=O)[O-])CNc2c(c(c(c(c2F)F)F)F)F)O
InChi [?]:
InChI=1/C13H7F5N2O3/c14-8-9(15)11(17)13(12(18)10(8)16)19-4-5-3-6(20(22)23)1-2-7(5)21/h1-3,19,21H,4H2
InChi Info:
AuxInfo=1/0/N:1,2,5,10,4,6,3,15,14,16,13,17,12,20,21,19,22,18,11,7,23,8,9/E:(9,10)(11,12)(15,16)(17,18)(22,23)/CRV:20.5/rA:23nCCCCCCN+OO-CNCCCCCCFFFFFO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;s10;s11;s12;d13;s14;d15;d12s16;s17;s16;s15;s14;s13;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H7F5N2O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-1.26768
Area:461.786
Solvation:-12.8123
Coulombic:-51.5544
Bond Count [?]
All:24
Single:17
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:334.198
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.55
LogP (Chemaxon):3.76

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Descriptor Annotations

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