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Chemical ID: 6661987
Chemical ID:
6661987
Name [?]:
2-[(4-chlorophenyl)aminomethyl]phenol
SMILES [?]:
c1ccc(c(c1)CNc2ccc(cc2)Cl)O
InChi [?]:
InChI=1/C13H12ClNO/c14-11-5-7-12(8-6-11)15-9-10-3-1-2-4-13(10)16/h1-8,15-16H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,11,13,10,14,7,5,12,9,4,15,8,16/E:(5,6)(7,8)/rA:16nCCCCCCCNCCCCCCClO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s12;s4;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H12ClNO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.52912 |
Area: | 420.895 |
Solvation: | -1.99326 |
Coulombic: | -30.3466 |
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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