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Chemical ID: 3995498
Chemical ID:
3995498
Name [?]:
2-[(2-chlorophenyl)aminomethyl]phenol
SMILES [?]:
c1ccc(c(c1)CNc2ccccc2Cl)O
InChi [?]:
InChI=1/C13H12ClNO/c14-11-6-2-3-7-12(11)15-9-10-5-1-4-8-13(10)16/h1-8,15-16H,9H2
InChi Info:
AuxInfo=1/0/N:1,12,11,2,6,13,10,3,7,5,14,9,4,15,8,16/rA:16nCCCCCCCNCCCCCCClO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s14;s4;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H12ClNO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.48042 |
Area: | 415.697 |
Solvation: | -1.912 |
Coulombic: | -30.9918 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 233.693 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 3.59 |
LogP (Chemaxon): | 3.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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