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Chemical ID: 7277767
Chemical ID:
7277767
Name [?]:
4-[(3-chlorophenyl)methylamino]-3-nitro-benzamide
SMILES [?]:
c1cc(cc(c1)Cl)CNc2ccc(cc2[N+](=O)[O-])C(=O)N
InChi [?]:
InChI=1/C14H12ClN3O3/c15-11-3-1-2-9(6-11)8-17-12-5-4-10(14(16)19)7-13(12)18(20)21/h1-7,17H,8H2,(H2,16,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,11,4,14,8,3,13,5,10,15,19,7,21,9,16,20,17,18/E:(20,21)/CRV:18.5/rA:21nCCCCCCClCNCCCCCCN+OO-CON/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;d11;s12;d13;d10s14;s15;d16;s16;s13;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12ClN3O3 |
All Atoms: | 33 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.73967 |
Area: | 504.708 |
Solvation: | -7.87803 |
Coulombic: | -50.8029 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 305.716 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 3.3 |
LogP (Chemaxon): | 3.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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