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Chemical ID: 5247388
Chemical ID:
5247388
Name [?]:
1-(1-naphthylaminomethyl)naphthalen-2-ol
SMILES [?]:
c1ccc2c(c1)cccc2NCc3c4ccccc4ccc3O
InChi [?]:
InChI=1/C21H17NO/c23-21-13-12-16-7-1-3-9-17(16)19(21)14-22-20-11-5-8-15-6-2-4-10-18(15)20/h1-13,22-23H,14H2
InChi Info:
AuxInfo=1/0/N:17,1,16,2,8,6,18,7,15,3,9,20,21,12,5,19,14,4,13,10,22,11,23/rA:23nCCCCCCCCCCNCCCCCCCCCCCO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s19;d20;d13s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17NO |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1268 |
Area: | 497.62 |
Solvation: | -2.31367 |
Coulombic: | -31.9843 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 299.366 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 5.5 |
LogP (Chemaxon): | 5.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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