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Chemical ID: 5130929
Chemical ID:
5130929
Name [?]:
2-[(cyclohexyl-methyl-amino)methyl]phenol
SMILES [?]:
CN(Cc1ccccc1O)C2CCCCC2
InChi [?]:
InChI=1/C14H21NO/c1-15(13-8-3-2-4-9-13)11-12-7-5-6-10-14(12)16/h5-7,10,13,16H,2-4,8-9,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,6,7,5,12,16,8,3,4,11,9,2,10/E:(3,4)(8,9)/rA:16cCNCCCCCCCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s2;s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.20253 |
Area: | 398.773 |
Solvation: | -1.7668 |
Coulombic: | -23.1539 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 219.323 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.2 |
LogP (Chemaxon): | 2.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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