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Chemical ID: 6525576
Chemical ID:
6525576
Name [?]:
1-(3-diethylaminopropyl)-3-phenyl-urea
SMILES [?]:
CCN(CC)CCCNC(=O)Nc1ccccc1
InChi [?]:
InChI=1/C14H23N3O/c1-3-17(4-2)12-8-11-15-14(18)16-13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H2,15,16,18)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,16,15,17,7,14,18,8,6,13,10,9,12,3,11/E:(1,2)(3,4)(6,7)(9,10)/rA:18nCCNCCCCCNCONCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H23N3O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0215 |
Area: | 485.705 |
Solvation: | -2.12109 |
Coulombic: | -40.5303 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 249.352 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.97 |
LogP (Chemaxon): | 2.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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