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Chemical ID: 4749350
Chemical ID:
4749350
Name [?]:
N-[4-(trifluoromethyl)phenyl]chroman-2-carboxamide
SMILES [?]:
c1ccc2c(c1)CCC(O2)C(=O)Nc3ccc(cc3)C(F)(F)F
InChi [?]:
InChI=1/C17H14F3NO2/c18-17(19,20)12-6-8-13(9-7-12)21-16(22)15-10-5-11-3-1-2-4-14(11)23-15/h1-4,6-9,15H,5,10H2,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,16,18,15,19,8,5,17,14,4,9,11,20,21,22,23,13,12,10/E:(6,7)(8,9)(18,19,20)/rA:23cCCCCCCCCCOCONCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;s9;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14F3NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.94718 |
Area: | 485.296 |
Solvation: | -4.18521 |
Coulombic: | -48.4803 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 321.294 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.91 |
LogP (Chemaxon): | 4.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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