Chemical ID: 4704567

Cc1ccc(cc1)N=C2c3ccccc3N(C2=O)C
Chemical ID:
4704567
Name [?]:
1-methyl-3-(p-tolylimino)indolin-2-one
SMILES [?]:
Cc1ccc(cc1)N=C2c3ccccc3N(C2=O)C
InChi [?]:
InChI=1/C16H14N2O/c1-11-7-9-12(10-8-11)17-15-13-5-3-4-6-14(13)18(2)16(15)19/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,12,13,11,14,3,7,4,6,2,5,10,15,9,17,8,16,18/E:(7,8)(9,10)/rA:19nCCCCCCCNCCCCCCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;d11;s12;d13;d10s14;s15;s9s16;d17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14N2O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.65515
Area:427.24
Solvation:-2.02585
Coulombic:-25.2032
Bond Count [?]
All:21
Single:13
Double:8
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:250.295
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.82
LogP (Chemaxon):3.88

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Descriptor Annotations

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