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Chemical ID: 6675405
Chemical ID:
6675405
Name [?]:
2-(anilinomethyl)phenol
SMILES [?]:
c1ccc(cc1)NCc2ccccc2O
InChi [?]:
InChI=1/C13H13NO/c15-13-9-5-4-6-11(13)10-14-12-7-2-1-3-8-12/h1-9,14-15H,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,12,10,3,5,13,8,9,4,14,7,15/E:(2,3)(7,8)/rA:15nCCCCCCNCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.66039 |
Area: | 386.98 |
Solvation: | -2.01412 |
Coulombic: | -30.2906 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 199.248 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.97 |
LogP (Chemaxon): | 3.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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