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Chemical ID: 5635585
Chemical ID:
5635585
Name [?]:
(5-chloro-2-methylamino-phenyl)-phenyl-methanone
SMILES [?]:
CNc1ccc(cc1C(=O)c2ccccc2)Cl
InChi [?]:
InChI=1/C14H12ClNO/c1-16-13-8-7-11(15)9-12(13)14(17)10-5-3-2-4-6-10/h2-9,16H,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,12,16,5,4,7,11,6,8,3,9,17,2,10/E:(3,4)(5,6)/rA:17nCNCCCCCCCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s6;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12ClNO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.86775 |
Area: | 427.787 |
Solvation: | -1.82693 |
Coulombic: | -23.1459 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 245.704 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.27 |
LogP (Chemaxon): | 4.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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