Chemical ID: 6318784

c1ccc(cc1)C(c2ccccc2)N3C(=O)c4ccc(cc4C3=O)F
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

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Descriptor Annotations

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