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Chemical ID: 4744032
Chemical ID:
4744032
Name [?]:
3-[(4-fluorophenyl)methylene]indolin-2-one
SMILES [?]:
c1ccc2c(c1)C(=Cc3ccc(cc3)F)C(=O)N2
InChi [?]:
InChI=1/C15H10FNO/c16-11-7-5-10(6-8-11)9-13-12-3-1-2-4-14(12)17-15(13)18/h1-9H,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,10,14,11,13,8,9,12,5,7,4,16,15,18,17/E:(5,6)(7,8)/rA:18nCCCCCCCCCCCCCCFCON/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s11;d12;d9s13;s12;s7;d16;s4s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10FNO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.33706 |
Area: | 393.476 |
Solvation: | -2.49985 |
Coulombic: | -27.2961 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 1 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 239.244 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.26 |
LogP (Chemaxon): | 3.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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