Chemical ID: 4976404

CNC(=O)NC1c2ccccc2Oc3c1cccc3
Chemical ID:
4976404
Name [?]:
1-methyl-3-(9H-xanthen-9-yl)urea
SMILES [?]:
CNC(=O)NC1c2ccccc2Oc3c1cccc3
InChi [?]:
InChI=1/C15H14N2O2/c1-16-15(18)17-14-10-6-2-4-8-12(10)19-13-9-5-3-7-11(13)14/h2-9,14H,1H3,(H2,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,9,17,10,18,8,16,11,19,7,15,12,14,6,3,2,5,4,13/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:19cCNCONCCCCCCCOCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s6s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14N2O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.28276
Area:422.807
Solvation:-2.28742
Coulombic:-44.8738
Bond Count [?]
All:21
Single:14
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:254.284
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.09
LogP (Chemaxon):2.2

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Descriptor Annotations

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