Chemical ID: 6486464

c1ccc(c(c1)CNc2ccc(c(c2)Cl)Cl)O
Chemical ID:
6486464
Name [?]:
2-[(3,4-dichlorophenyl)aminomethyl]phenol
SMILES [?]:
c1ccc(c(c1)CNc2ccc(c(c2)Cl)Cl)O
InChi [?]:
InChI=1/C13H11Cl2NO/c14-11-6-5-10(7-12(11)15)16-8-9-3-1-2-4-13(9)17/h1-7,16-17H,8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,10,11,14,7,5,9,12,13,4,16,15,8,17/rA:17nCCCCCCCNCCCCCCClClO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s13;s12;s4;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11Cl2NO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.24232
Area:448.758
Solvation:-1.97662
Coulombic:-30.4274
Bond Count [?]
All:18
Single:12
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:268.138
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:4.22
LogP (Chemaxon):4.15

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue