Chemical ID: 7454814

CC(Cc1ccccc1)[NH2+]Cc2ccccc2O
Chemical ID:
7454814
Name [?]:
(2-hydroxyphenyl)methyl-(1-methyl-2-phenyl-ethyl)-ammonium
SMILES [?]:
CC(Cc1ccccc1)[NH2+]Cc2ccccc2O
InChi [?]:
InChI=1/C16H19NO/c1-13(11-14-7-3-2-4-8-14)17-12-15-9-5-6-10-16(15)18/h2-10,13,17-18H,11-12H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,7,6,8,14,15,5,9,13,16,3,11,2,4,12,17,10,18/E:(3,4)(7,8)/rA:18cCCCCCCCCCN+CCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;s10;s11;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20NO+
All Atoms:38
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:-21.3379
Area:440.147
Solvation:-32.3416
Coulombic:15.5881
Bond Count [?]
All:19
Single:13
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:242.336
H-Bond Donors:3
H-Bond Acceptors:2
XLogP:3.46
LogP (Chemaxon):3.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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