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Chemical ID: 6525581
Chemical ID:
6525581
Name [?]:
1-(3-diethylaminopropyl)-3-(2-fluorophenyl)-urea
SMILES [?]:
CCN(CC)CCCNC(=O)Nc1ccccc1F
InChi [?]:
InChI=1/C14H22FN3O/c1-3-18(4-2)11-7-10-16-14(19)17-13-9-6-5-8-12(13)15/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H2,16,17,19)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,16,15,7,17,14,8,6,18,13,10,19,9,12,3,11/E:(1,2)(3,4)/rA:19nCCNCCCCCNCONCCCCCCF/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H22FN3O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.77483 |
Area: | 490.816 |
Solvation: | -2.49558 |
Coulombic: | -44.647 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 267.342 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.13 |
LogP (Chemaxon): | 1.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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