Chemical ID: 4725511

c1cc(c(nc1)NCc2ccc(c(c2)F)F)[N+](=O)[O-]
Chemical ID:
4725511
Name [?]:
N-[(3,4-difluorophenyl)methyl]-3-nitro-pyridin-2-amine
SMILES [?]:
c1cc(c(nc1)NCc2ccc(c(c2)F)F)[N+](=O)[O-]
InChi [?]:
InChI=1/C12H9F2N3O2/c13-9-4-3-8(6-10(9)14)7-16-12-11(17(18)19)2-1-5-15-12/h1-6H,7H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,10,11,6,14,8,9,12,13,3,4,16,15,5,7,17,18,19/E:(18,19)/CRV:17.5/rA:19nCCCCNCNCCCCCCCFFN+OO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s13;s12;s3;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9F2N3O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:2.59698
Area:424.95
Solvation:-8.02678
Coulombic:-39.0538
Bond Count [?]
All:20
Single:13
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:265.216
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.59
LogP (Chemaxon):3.67

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Descriptor Annotations

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