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Chemical ID: 4770978
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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