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Chemical ID: 4261572
Chemical ID:
4261572
Name [?]:
anilino-phenylimino-methanolate
SMILES [?]:
c1ccc(cc1)NC(=Nc2ccccc2)[O-]
InChi [?]:
InChI=1/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:1,13,2,6,12,14,3,5,11,15,4,10,8,7,9,16/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(14,15)/rA:16nCCCCCCNCNCCCCCCO-/rB:s1;d2;s3;d4;d1s5;s4;s7;w8;s9;s10;d11;s12;d13;d10s14;s8;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11N2O- |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -35.1096 |
Area: | 397.078 |
Solvation: | -45.0365 |
Coulombic: | 2.9804 |
Bond Count [?]
All: | 17 |
Single: | 10 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 211.239 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.05 |
LogP (Chemaxon): | 4.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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