Chemical ID: 4794396

CN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccccc4F
Chemical ID:
4794396
Name [?]:
None
SMILES [?]:
CN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccccc4F
InChi [?]:
InChI=1/C18H12FNO3/c1-20-15(10-6-2-4-8-12(10)19)14-16(21)11-7-3-5-9-13(11)23-17(14)18(20)22/h2-9,15H,1H3
InChi Info:
AuxInfo=1/0/N:1,19,9,20,10,18,8,21,11,17,7,22,12,4,3,5,14,15,23,2,6,16,13/rA:23cCNCCCOCCCCCCOCCOCCCCCCF/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;d4s13;s2s14;d15;s3;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12FNO3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:7.67211
Area:460.933
Solvation:-3.85121
Coulombic:-39.1665
Bond Count [?]
All:26
Single:17
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:309.291
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.58
LogP (Chemaxon):2.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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