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Chemical ID: 4767738
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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