Chemical ID: 6676633

Cc1ccccc1NC(=O)Nc2cccc(c2C)C
Chemical ID:
6676633
Name [?]:
3-(2,3-dimethylphenyl)-1-(o-tolyl)urea
SMILES [?]:
Cc1ccccc1NC(=O)Nc2cccc(c2C)C
InChi [?]:
InChI=1/C16H18N2O/c1-11-8-6-10-15(13(11)3)18-16(19)17-14-9-5-4-7-12(14)2/h4-10H,1-3H3,(H2,17,18,19)
InChi Info:
AuxInfo=1/1/N:19,1,18,4,5,14,3,15,6,13,16,2,17,7,12,9,8,11,10/rA:19nCCCCCCCNCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18N2O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.4445
Area:450.293
Solvation:-1.81282
Coulombic:-35.7726
Bond Count [?]
All:20
Single:13
Double:7
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:254.327
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.37
LogP (Chemaxon):3.61

Name Annotations

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Descriptor Annotations

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