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Chemical ID: 6689503
Chemical ID:
6689503
Name [?]:
(2-chlorophenyl)-diphenyl-methanamine
SMILES [?]:
c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)N
InChi [?]:
InChI=1/C19H16ClN/c20-18-14-8-7-13-17(18)19(21,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,21H2
InChi Info:
AuxInfo=1/0/N:1,11,2,6,10,12,16,17,3,5,9,13,15,18,4,8,14,19,7,20,21/E:(1,2)(3,4,5,6)(9,10,11,12)(15,16)/rA:21nCCCCCCCCCCCCCCCCCCCClN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;s14;d15;s16;d17;d14s18;s19;s7;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16ClN |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.88581 |
Area: | 445.115 |
Solvation: | -1.24206 |
Coulombic: | -18.9547 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 293.79 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 5.31 |
LogP (Chemaxon): | 5.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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