Chemical ID: 4770978

c1ccnc(c1)C=NOC(=O)Nc2ccc(cc2)C(F)(F)F
Chemical ID:
4770978
Name [?]:
2-pyridylmethyleneamino [4-(trifluoromethyl)phenyl]aminoformate
SMILES [?]:
c1ccnc(c1)C=NOC(=O)Nc2ccc(cc2)C(F)(F)F
InChi [?]:
InChI=1/C14H10F3N3O2/c15-14(16,17)10-4-6-11(7-5-10)20-13(21)22-19-9-12-3-1-2-8-18-12/h1-9H,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,15,17,14,18,3,7,16,13,5,10,19,20,21,22,4,8,12,11,9/E:(4,5)(6,7)(15,16,17)/rA:22nCCCNCCCNOCONCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10F3N3O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.36117
Area:476.766
Solvation:-3.55799
Coulombic:-53.2388
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:309.243
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.39
LogP (Chemaxon):4.63

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Descriptor Annotations

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