Chemical ID: 6675405

c1ccc(cc1)NCc2ccccc2O
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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