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Chemical ID: 5012280
Chemical ID:
5012280
Name [?]:
1-(p-tolylaminomethyl)naphthalen-2-ol
SMILES [?]:
Cc1ccc(cc1)NCc2c3ccccc3ccc2O
InChi [?]:
InChI=1/C18H17NO/c1-13-6-9-15(10-7-13)19-12-17-16-5-3-2-4-14(16)8-11-18(17)20/h2-11,19-20H,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,12,3,7,17,4,6,18,9,2,16,5,11,10,19,8,20/E:(6,7)(9,10)/rA:20nCCCCCCCNCCCCCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;d17;d10s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.51459 |
Area: | 464.745 |
Solvation: | -2.10403 |
Coulombic: | -30.8272 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 263.334 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 4.67 |
LogP (Chemaxon): | 4.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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