Chemical ID: 4767738

COc1ccccc1NN=C2c3ccccc3C=CC2=O
Chemical ID:
4767738
Name [?]:
1-(2-methoxyphenyl)aminoiminonaphthalen-2-one
SMILES [?]:
COc1ccccc1NN=C2c3ccccc3C=CC2=O
InChi [?]:
InChI=1/C17H14N2O2/c1-21-16-9-5-4-8-14(16)18-19-17-13-7-3-2-6-12(13)10-11-15(17)20/h2-11,18H,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,6,5,16,13,7,4,18,19,17,12,8,20,3,11,9,10,21,2/rA:21nCOCCCCCCNNCCCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;w10;s11;s12;d13;s14;d15;d12s16;s17;d18;s11s19;d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14N2O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.01322
Area:459.192
Solvation:-3.46657
Coulombic:-28.6807
Bond Count [?]
All:23
Single:14
Double:9
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:278.305
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.98
LogP (Chemaxon):3.77

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