Chemical ID: 6661987

c1ccc(c(c1)CNc2ccc(cc2)Cl)O
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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