Chemical ID: 4802321

CCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccc(cc4)F
Chemical ID:
4802321
Name [?]:
None
SMILES [?]:
CCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccc(cc4)F
InChi [?]:
InChI=1/C19H14FNO3/c1-2-21-16(11-7-9-12(20)10-8-11)15-17(22)13-5-3-4-6-14(13)24-18(15)19(21)23/h3-10,16H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,11,9,12,19,23,20,22,18,21,8,13,5,4,6,15,16,24,3,7,17,14/E:(7,8)(9,10)/rA:24cCCNCCCOCCCCCCOCCOCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;d5s14;s3s15;d16;s4;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14FNO3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:8.20104
Area:479.292
Solvation:-3.78126
Coulombic:-39.5178
Bond Count [?]
All:27
Single:18
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:323.318
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.0
LogP (Chemaxon):3.14

Name Annotations

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Descriptor Annotations

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