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Chemical ID: 6318784
Chemical ID:
6318784
Name [?]:
2-benzhydryl-5-fluoro-isoindoline-1,3-dione
SMILES [?]:
c1ccc(cc1)C(c2ccccc2)N3C(=O)c4ccc(cc4C3=O)F
InChi [?]:
InChI=1/C21H14FNO2/c22-16-11-12-17-18(13-16)21(25)23(20(17)24)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H
InChi Info:
AuxInfo=1/0/N:1,11,2,6,10,12,3,5,9,13,19,18,21,4,8,20,17,22,7,15,23,25,14,16,24/E:(1,2)(3,4,5,6)(7,8,9,10)(14,15)/rA:25nCCCCCCCCCCCCCNCOCCCCCCCOF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;s14;d15;s15;s17;d18;s19;d20;d17s21;s14s22;d23;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H14FNO2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.75999 |
Area: | 496.612 |
Solvation: | -3.65531 |
Coulombic: | -32.8036 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 331.34 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.58 |
LogP (Chemaxon): | 4.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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